N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

C23H23N3O2 — CID 109200389

IUPACN-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nc1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O2/c1-4-26(20-7-5-6-16(2)14-20)21-12-13-22(24-15-21)23(28)25-19-10-8-18(9-11-19)17(3)27/h5-15H,4H2,1-3H3,(H,25,28)
InChIKeyROGYIGCYNKBPIN-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.00
Rot. Bonds6

About N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (PubChem CID 109200389) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
PubChem CID109200389
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nc1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O2/c1-4-26(20-7-5-6-16(2)14-20)21-12-13-22(24-15-21)23(28)25-19-10-8-18(9-11-19)17(3)27/h5-15H,4H2,1-3H3,(H,25,28)
InChIKeyROGYIGCYNKBPIN-UHFFFAOYSA-N
XLogP5.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 109294256
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
5-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190248

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (CID 109200389) is N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is CCN(c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nc1)c1cccc(C)c1.
What is the InChIKey of N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The InChIKey is ROGYIGCYNKBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-26(20-7-5-6-16(2)14-20)21-12-13-22(24-15-21)23(28)25-19-10-8-18(9-11-19)17(3)27/h5-15H,4H2,1-3H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109200389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).