3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide

C21H19N3O3 — CID 167924078

IUPAC3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccncc3C)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-13-22-11-10-19(14)24-20(25)15-6-8-17(9-7-15)23-21(26)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyQAVALVIMAGTWIA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.90
Rot. Bonds5

About 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide

3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide (PubChem CID 167924078) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
PubChem CID167924078
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccncc3C)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-13-22-11-10-19(14)24-20(25)15-6-8-17(9-7-15)23-21(26)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyQAVALVIMAGTWIA-UHFFFAOYSA-N
XLogP3.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
CID 71998645
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
2-N-(3-methoxyphenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091016
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide (CID 167924078) is 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccncc3C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide?
The InChIKey is QAVALVIMAGTWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-13-22-11-10-19(14)24-20(25)15-6-8-17(9-7-15)23-21(26)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide?
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 167924078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).