N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

C22H23N3O — CID 109241657

IUPACN-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-8-10-19(11-9-17)24-20-12-18(13-23-14-20)22(26)25-21-7-5-4-6-16(21)3/h4-15,24H,1-3H3,(H,25,26)
InChIKeyGHSJYRNMDLHIEK-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.51
Rot. Bonds5

About N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109241657) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109241657
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-8-10-19(11-9-17)24-20-12-18(13-23-14-20)22(26)25-21-7-5-4-6-16(21)3/h4-15,24H,1-3H3,(H,25,26)
InChIKeyGHSJYRNMDLHIEK-UHFFFAOYSA-N
XLogP5.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241688
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108609
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109241657) is N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is GHSJYRNMDLHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(2)17-8-10-19(11-9-17)24-20-12-18(13-23-14-20)22(26)25-21-7-5-4-6-16(21)3/h4-15,24H,1-3H3,(H,25,26).
What are the key properties of N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).