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

C22H23N3O — CID 109241841

IUPACN-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-7-9-19(10-8-17)24-21-12-18(13-23-14-21)22(26)25-20-6-4-5-16(3)11-20/h4-15,24H,1-3H3,(H,25,26)
InChIKeyMULGBRQPBUOMCG-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.51
Rot. Bonds5

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

N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109241841) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109241841
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-7-9-19(10-8-17)24-21-12-18(13-23-14-21)22(26)25-20-6-4-5-16(3)11-20/h4-15,24H,1-3H3,(H,25,26)
InChIKeyMULGBRQPBUOMCG-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-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109241841) is N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is MULGBRQPBUOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(2)17-7-9-19(10-8-17)24-21-12-18(13-23-14-21)22(26)25-20-6-4-5-16(3)11-20/h4-15,24H,1-3H3,(H,25,26).
What are the key properties of N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(3-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-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).