4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide

C18H23N3O — CID 109217395

IUPAC4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCC(C)C)ccn2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)8-10-19-16-9-11-20-17(12-16)18(22)21-15-6-4-14(3)5-7-15/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyNDNPZCVPHWLZQM-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.10
Rot. Bonds6

About 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide

4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109217395) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109217395
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCC(C)C)ccn2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)8-10-19-16-9-11-20-17(12-16)18(22)21-15-6-4-14(3)5-7-15/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyNDNPZCVPHWLZQM-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203163
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109217395) is 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NCCC(C)C)ccn2)cc1.
What is the InChIKey of 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NDNPZCVPHWLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)8-10-19-16-9-11-20-17(12-16)18(22)21-15-6-4-14(3)5-7-15/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).