4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

C23H23N3O3 — CID 109221907

IUPAC4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-22-10-5-4-9-20(22)26-23(28)21-14-19(11-12-24-21)25-18-8-6-7-17(13-18)16(3)27/h4-15H,1-3H3,(H,24,25)(H,26,28)
InChIKeyTTWSEMVDJNUMME-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.07
Rot. Bonds7

About 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109221907) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109221907
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-22-10-5-4-9-20(22)26-23(28)21-14-19(11-12-24-21)25-18-8-6-7-17(13-18)16(3)27/h4-15H,1-3H3,(H,24,25)(H,26,28)
InChIKeyTTWSEMVDJNUMME-UHFFFAOYSA-N
XLogP5.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109221907) is 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccccc3OC(C)C)c2)c1.
What is the InChIKey of 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is TTWSEMVDJNUMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)29-22-10-5-4-9-20(22)26-23(28)21-14-19(11-12-24-21)25-18-8-6-7-17(13-18)16(3)27/h4-15H,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).