N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide

C20H17N3O2 — CID 17230224

IUPACN-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-23(18-5-3-2-4-6-18)20(25)16-7-9-17(10-8-16)22-19(24)15-11-13-21-14-12-15/h2-14H,1H3,(H,22,24)
InChIKeySWJKEJFGRNATJK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.61
Rot. Bonds4

About N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide

N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 17230224) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID17230224
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-23(18-5-3-2-4-6-18)20(25)16-7-9-17(10-8-16)22-19(24)15-11-13-21-14-12-15/h2-14H,1H3,(H,22,24)
InChIKeySWJKEJFGRNATJK-UHFFFAOYSA-N
XLogP3.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide (CID 17230224) is N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide is CN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is SWJKEJFGRNATJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-23(18-5-3-2-4-6-18)20(25)16-7-9-17(10-8-16)22-19(24)15-11-13-21-14-12-15/h2-14H,1H3,(H,22,24).
What are the key properties of N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17230224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).