5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

C20H27N3O — CID 109239926

IUPAC5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)6-7-22-18-10-17(11-21-12-18)20(24)23-19-15(4)8-14(3)9-16(19)5/h8-13,22H,6-7H2,1-5H3,(H,23,24)
InChIKeyRXSKHJQLDSGMCH-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.72
Rot. Bonds6

About 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (PubChem CID 109239926) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
PubChem CID109239926
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)6-7-22-18-10-17(11-21-12-18)20(24)23-19-15(4)8-14(3)9-16(19)5/h8-13,22H,6-7H2,1-5H3,(H,23,24)
InChIKeyRXSKHJQLDSGMCH-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

Analyze 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(propylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109223068
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240170
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (CID 109239926) is 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1.
What is the InChIKey of 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The InChIKey is RXSKHJQLDSGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)6-7-22-18-10-17(11-21-12-18)20(24)23-19-15(4)8-14(3)9-16(19)5/h8-13,22H,6-7H2,1-5H3,(H,23,24).
What are the key properties of 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-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 5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).