N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde

C162H141N9O23 — CID 158908508

IUPACN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1.CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN1CCN(C(=O)c2cccc(-c3ccc4c(C=O)c(O)ccc4c3)c2)CC1.O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12
InChIInChI=1S/2C26H21NO3.C23H22N2O3.C23H21NO3.C22H19NO4.C21H18N2O4.C21H19NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28;1-27(16-18-5-3-2-4-6-18)26(30)20-9-7-19(8-10-20)21-11-13-23-22(15-21)12-14-25(29)24(23)17-28;1-24-9-11-25(12-10-24)23(28)19-4-2-3-16(14-19)17-5-7-20-18(13-17)6-8-22(27)21(20)15-26;25-15-21-20-9-7-17(13-18(20)8-10-22(21)26)16-5-4-6-19(14-16)23(27)24-11-2-1-3-12-24;24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23;24-13-17-16-6-4-15(12-14(16)5-7-20(17)25)18-2-1-3-19(22-18)21(26)23-8-10-27-11-9-23;1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h2*2-15,17,29H,16H2,1H3;2-8,13-15,27H,9-12H2,1H3;4-10,13-15,26H,1-3,11-12H2;1-8,13-14,25H,9-12H2;1-7,12-13,25H,8-11H2;3-13,24H,1-2H3,(H,22,25)
InChIKeyJGIUHKDKCIBXBW-UHFFFAOYSA-N
MW2581.95 g/mol
LogP29.21
Rot. Bonds26

About N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde

N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde (PubChem CID 158908508) has the molecular formula C162H141N9O23 and a molecular weight of 2581.95 g/mol. Its IUPAC name is N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound NameN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde
PubChem CID158908508
Molecular FormulaC162H141N9O23
Molecular Weight2581.95 g/mol
Exact Mass2580.01
IUPAC NameN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1.CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN1CCN(C(=O)c2cccc(-c3ccc4c(C=O)c(O)ccc4c3)c2)CC1.O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12
InChIInChI=1S/2C26H21NO3.C23H22N2O3.C23H21NO3.C22H19NO4.C21H18N2O4.C21H19NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28;1-27(16-18-5-3-2-4-6-18)26(30)20-9-7-19(8-10-20)21-11-13-23-22(15-21)12-14-25(29)24(23)17-28;1-24-9-11-25(12-10-24)23(28)19-4-2-3-16(14-19)17-5-7-20-18(13-17)6-8-22(27)21(20)15-26;25-15-21-20-9-7-17(13-18(20)8-10-22(21)26)16-5-4-6-19(14-16)23(27)24-11-2-1-3-12-24;24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23;24-13-17-16-6-4-15(12-14(16)5-7-20(17)25)18-2-1-3-19(22-18)21(26)23-8-10-27-11-9-23;1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h2*2-15,17,29H,16H2,1H3;2-8,13-15,27H,9-12H2,1H3;4-10,13-15,26H,1-3,11-12H2;1-8,13-14,25H,9-12H2;1-7,12-13,25H,8-11H2;3-13,24H,1-2H3,(H,22,25)
InChIKeyJGIUHKDKCIBXBW-UHFFFAOYSA-N
XLogP29.21
TPSA446.65 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002581.95
LogP ≤ 529.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde with MolForge

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Related Compounds

2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
CID 59599773
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
N-[[3-[4-[2-ethoxy-3-(4-methylpiperazin-1-yl)-3-oxopropyl]phenyl]phenyl]methyl]-6-hydroxy-N-methylnaphthalene-2-carboxamide
CID 10460565
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide
CID 10370003
5-[4-[4-[3-(dimethylamino)benzoyl]piperazine-1-carbonyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 122394905
6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde (CID 158908508) is N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde is CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1.CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.CN1CCN(C(=O)c2cccc(-c3ccc4c(C=O)c(O)ccc4c3)c2)CC1.O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12.
What is the InChIKey of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The InChIKey is JGIUHKDKCIBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21NO3.C23H22N2O3.C23H21NO3.C22H19NO4.C21H18N2O4.C21H19NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28;1-27(16-18-5-3-2-4-6-18)26(30)20-9-7-19(8-10-20)21-11-13-23-22(15-21)12-14-25(29)24(23)17-28;1-24-9-11-25(12-10-24)23(28)19-4-2-3-16(14-19)17-5-7-20-18(13-17)6-8-22(27)21(20)15-26;25-15-21-20-9-7-17(13-18(20)8-10-22(21)26)16-5-4-6-19(14-16)23(27)24-11-2-1-3-12-24;24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23;24-13-17-16-6-4-15(12-14(16)5-7-20(17)25)18-2-1-3-19(22-18)21(26)23-8-10-27-11-9-23;1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h2*2-15,17,29H,16H2,1H3;2-8,13-15,27H,9-12H2,1H3;4-10,13-15,26H,1-3,11-12H2;1-8,13-14,25H,9-12H2;1-7,12-13,25H,8-11H2;3-13,24H,1-2H3,(H,22,25).
What are the key properties of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde?
N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde has a molecular weight of 2581.95 g/mol, XLogP of 29.21, 26 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 158908508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).