N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide

C24H25N3O2 — CID 109177154

IUPACN-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)c2)c1
InChIInChI=1S/C24H25N3O2/c1-15(2)21-10-5-7-16(3)23(21)27-22-14-19(11-12-25-22)24(29)26-20-9-6-8-18(13-20)17(4)28/h5-15H,1-4H3,(H,25,27)(H,26,29)
InChIKeyCUTVDMNCNVYSSO-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.71
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide

N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide (PubChem CID 109177154) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
PubChem CID109177154
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)c2)c1
InChIInChI=1S/C24H25N3O2/c1-15(2)21-10-5-7-16(3)23(21)27-22-14-19(11-12-25-22)24(29)26-20-9-6-8-18(13-20)17(4)28/h5-15H,1-4H3,(H,25,27)(H,26,29)
InChIKeyCUTVDMNCNVYSSO-UHFFFAOYSA-N
XLogP5.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092550
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
1-[3-[[3-(2-methyl-6-propan-2-ylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112965141
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide (CID 109177154) is N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The InChIKey is CUTVDMNCNVYSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(2)21-10-5-7-16(3)23(21)27-22-14-19(11-12-25-22)24(29)26-20-9-6-8-18(13-20)17(4)28/h5-15H,1-4H3,(H,25,27)(H,26,29).
What are the key properties of N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).