2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

C21H19N3O3 — CID 991450

IUPAC2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyKGZPRACWDPXPNW-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.27
Rot. Bonds6

About 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 991450) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID991450
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyKGZPRACWDPXPNW-UHFFFAOYSA-N
XLogP3.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 991450) is 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KGZPRACWDPXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 991450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).