N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide

C21H19N3O2 — CID 26162903

IUPACN-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H19N3O2/c1-24(15-16-7-3-2-4-8-16)21(26)17-9-5-11-19(13-17)23-20(25)18-10-6-12-22-14-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyOVURQQRIKBRXLM-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.61
Rot. Bonds5

About N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 26162903) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID26162903
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H19N3O2/c1-24(15-16-7-3-2-4-8-16)21(26)17-9-5-11-19(13-17)23-20(25)18-10-6-12-22-14-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyOVURQQRIKBRXLM-UHFFFAOYSA-N
XLogP3.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
CID 26162821
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 26162903) is N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is OVURQQRIKBRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-24(15-16-7-3-2-4-8-16)21(26)17-9-5-11-19(13-17)23-20(25)18-10-6-12-22-14-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).