N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

C22H21N3O2 — CID 109243411

IUPACN-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-21(16)24-20-12-18(13-23-14-20)22(27)25-19-9-6-8-17(11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyRHPARRPGKRWNAS-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.84
Rot. Bonds6

About N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (PubChem CID 109243411) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
PubChem CID109243411
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-21(16)24-20-12-18(13-23-14-20)22(27)25-19-9-6-8-17(11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyRHPARRPGKRWNAS-UHFFFAOYSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (CID 109243411) is N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is CCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The InChIKey is RHPARRPGKRWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-21(16)24-20-12-18(13-23-14-20)22(27)25-19-9-6-8-17(11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).