N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide

C14H23N3O — CID 109201563

IUPACN-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-6-9-17(4)14(18)13-10-12(7-8-15-13)16-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyOOICEOKFEDDRJB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.77
Rot. Bonds6

About N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide

N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201563) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201563
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-6-9-17(4)14(18)13-10-12(7-8-15-13)16-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyOOICEOKFEDDRJB-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-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

N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
4-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-2-carboxamide
CID 62169428
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201563) is N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(NC(C)C)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is OOICEOKFEDDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-6-9-17(4)14(18)13-10-12(7-8-15-13)16-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).