N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide

C35H33N5O3 — CID 1054189

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C35H33N5O3/c1-43-33-14-5-4-13-32(33)40-20-18-39(19-21-40)31-16-15-27(22-30(31)34(41)37-24-25-8-7-17-36-23-25)38-35(42)29-12-6-10-26-9-2-3-11-28(26)29/h2-17,22-23H,18-21,24H2,1H3,(H,37,41)(H,38,42)
InChIKeyFYGGNCKLSLOWGO-UHFFFAOYSA-N
MW571.68 g/mol
LogP5.75
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 1054189) has the molecular formula C35H33N5O3 and a molecular weight of 571.68 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID1054189
Molecular FormulaC35H33N5O3
Molecular Weight571.68 g/mol
Exact Mass571.26
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C35H33N5O3/c1-43-33-14-5-4-13-32(33)40-20-18-39(19-21-40)31-16-15-27(22-30(31)34(41)37-24-25-8-7-17-36-23-25)38-35(42)29-12-6-10-26-9-2-3-11-28(26)29/h2-17,22-23H,18-21,24H2,1H3,(H,37,41)(H,38,42)
InChIKeyFYGGNCKLSLOWGO-UHFFFAOYSA-N
XLogP5.75
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42762456
5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 1054188
5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42762459
5-[(4-tert-butylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 3450416
N-benzyl-5-[(2-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3941984
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42660161
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 5111456
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4003160
N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1064743
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055044
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 1054189) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCc2cccnc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is FYGGNCKLSLOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O3/c1-43-33-14-5-4-13-32(33)40-20-18-39(19-21-40)31-16-15-27(22-30(31)34(41)37-24-25-8-7-17-36-23-25)38-35(42)29-12-6-10-26-9-2-3-11-28(26)29/h2-17,22-23H,18-21,24H2,1H3,(H,37,41)(H,38,42).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1054189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).