4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C20H27N3O — CID 109217411

IUPAC4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NCCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)6-8-21-17-7-9-22-18(12-17)20(24)23-19-15(4)10-14(3)11-16(19)5/h7,9-13H,6,8H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyNNNGOIRDIWGGRE-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.72
Rot. Bonds6

About 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 109217411) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
PubChem CID109217411
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NCCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)6-8-21-17-7-9-22-18(12-17)20(24)23-19-15(4)10-14(3)11-16(19)5/h7,9-13H,6,8H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyNNNGOIRDIWGGRE-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354203

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 109217411) is 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(NCCC(C)C)ccn2)c(C)c1.
What is the InChIKey of 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is NNNGOIRDIWGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)6-8-21-17-7-9-22-18(12-17)20(24)23-19-15(4)10-14(3)11-16(19)5/h7,9-13H,6,8H2,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.72, 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-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).