N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide

C21H19N3O2 — CID 17221980

IUPACN-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-2-24(19-9-4-3-5-10-19)21(26)17-7-6-8-18(15-17)23-20(25)16-11-13-22-14-12-16/h3-15H,2H2,1H3,(H,23,25)
InChIKeyNMXLBJSFGNJGDB-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.00
Rot. Bonds5

About N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide

N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 17221980) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID17221980
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-2-24(19-9-4-3-5-10-19)21(26)17-7-6-8-18(15-17)23-20(25)16-11-13-22-14-12-16/h3-15H,2H2,1H3,(H,23,25)
InChIKeyNMXLBJSFGNJGDB-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
N-[3-[ethyl(phenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911446
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide (CID 17221980) is N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide is CCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is NMXLBJSFGNJGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-24(19-9-4-3-5-10-19)21(26)17-7-6-8-18(15-17)23-20(25)16-11-13-22-14-12-16/h3-15H,2H2,1H3,(H,23,25).
What are the key properties of N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17221980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).