8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide

C52H50ClN9O6 — CID 159387206

IUPAC8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.NC(=O)c1ccc2cncc(C3=CCOCC3)c2n1.O=C(NCCO)c1ccc2cncc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C21H22ClN3O.C17H15N3O3.C14H13N3O2/c1-2-3-4-5-12-24-21(26)19-11-8-16-13-23-14-18(20(16)25-19)15-6-9-17(22)10-7-15;21-7-6-19-17(23)15-5-4-12-9-18-10-14(16(12)20-15)11-2-1-3-13(22)8-11;15-14(18)12-2-1-10-7-16-8-11(13(10)17-12)9-3-5-19-6-4-9/h6-11,13-14H,2-5,12H2,1H3,(H,24,26);1-5,8-10,21-22H,6-7H2,(H,19,23);1-3,7-8H,4-6H2,(H2,15,18)
InChIKeyLLQMHUYBUXQYTL-UHFFFAOYSA-N
MW932.48 g/mol
LogP8.52
Rot. Bonds13

About 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 159387206) has the molecular formula C52H50ClN9O6 and a molecular weight of 932.48 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
PubChem CID159387206
Molecular FormulaC52H50ClN9O6
Molecular Weight932.48 g/mol
Exact Mass931.36
IUPAC Name8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.NC(=O)c1ccc2cncc(C3=CCOCC3)c2n1.O=C(NCCO)c1ccc2cncc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C21H22ClN3O.C17H15N3O3.C14H13N3O2/c1-2-3-4-5-12-24-21(26)19-11-8-16-13-23-14-18(20(16)25-19)15-6-9-17(22)10-7-15;21-7-6-19-17(23)15-5-4-12-9-18-10-14(16(12)20-15)11-2-1-3-13(22)8-11;15-14(18)12-2-1-10-7-16-8-11(13(10)17-12)9-3-5-19-6-4-9/h6-11,13-14H,2-5,12H2,1H3,(H,24,26);1-5,8-10,21-22H,6-7H2,(H,19,23);1-3,7-8H,4-6H2,(H2,15,18)
InChIKeyLLQMHUYBUXQYTL-UHFFFAOYSA-N
XLogP8.52
TPSA228.32 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.48
LogP ≤ 58.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-(4-chlorophenyl)-N-(3-hydroxy-3-methylbutan-2-yl)-1,6-naphthyridine-2-carboxamide;N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 158108271
8-(3-Chlorophenyl)-1,6-naphthyridine-2-carboxamide;8-[3-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 161255831
N-(2-Hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 75203263
5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
CID 123645654
2-tert-butyl-6-chloropyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol
CID 157666909
6-Chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid
CID 158975493
8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;8-(3-methoxyphenyl)-1,6-naphthyridine-2-carboxamide;8-morpholin-4-yl-1,6-naphthyridine-2-carboxamide
CID 159647919
6-Chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid
CID 161095829
8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
CID 161363196
5-(4-chlorophenyl)-N-(cyclopropylmethyl)-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-(2-methoxyethyl)-1,7-naphthyridine-3-carboxamide;5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide
CID 161515744
N-(2-methoxyethyl)-8-pyridin-3-yl-1,6-naphthyridine-2-carboxamide;8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide;8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
CID 161749576
5-[8-(7-Chloro-1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)isoquinolin-3-yl]pyridine-2-carboxylic acid;methyl 5-[8-(1,3-dimethyl-2-oxo-7-propan-2-yloxy-1,6-naphthyridin-5-yl)isoquinolin-3-yl]pyridine-2-carboxylate
CID 176246062

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide (CID 159387206) is 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide is CCCCCCNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.NC(=O)c1ccc2cncc(C3=CCOCC3)c2n1.O=C(NCCO)c1ccc2cncc(-c3cccc(O)c3)c2n1.
What is the InChIKey of 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is LLQMHUYBUXQYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O.C17H15N3O3.C14H13N3O2/c1-2-3-4-5-12-24-21(26)19-11-8-16-13-23-14-18(20(16)25-19)15-6-9-17(22)10-7-15;21-7-6-19-17(23)15-5-4-12-9-18-10-14(16(12)20-15)11-2-1-3-13(22)8-11;15-14(18)12-2-1-10-7-16-8-11(13(10)17-12)9-3-5-19-6-4-9/h6-11,13-14H,2-5,12H2,1H3,(H,24,26);1-5,8-10,21-22H,6-7H2,(H,19,23);1-3,7-8H,4-6H2,(H2,15,18).
What are the key properties of 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 932.48 g/mol, XLogP of 8.52, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-hexyl-1,6-naphthyridine-2-carboxamide;8-(3,6-dihydro-2H-pyran-4-yl)-1,6-naphthyridine-2-carboxamide;N-(2-hydroxyethyl)-8-(3-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159387206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).