N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide

C23H23N3O3 — CID 109178282

IUPACN-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-21-10-5-4-9-20(21)26-22-14-18(11-12-24-22)23(28)25-19-8-6-7-17(13-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28)
InChIKeySODZXCKCVLMGMM-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.07
Rot. Bonds7

About N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide

N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide (PubChem CID 109178282) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
PubChem CID109178282
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-21-10-5-4-9-20(21)26-22-14-18(11-12-24-22)23(28)25-19-8-6-7-17(13-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28)
InChIKeySODZXCKCVLMGMM-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-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
N-(4-acetamidophenyl)-2-(2-methoxyanilino)pyridine-4-carboxamide
CID 109177925
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide (CID 109178282) is N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The InChIKey is SODZXCKCVLMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)29-21-10-5-4-9-20(21)26-22-14-18(11-12-24-22)23(28)25-19-8-6-7-17(13-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-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 N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).