2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

C14H23N3O — CID 109165522

IUPAC2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-4-5-7-15-13-9-12(6-8-16-13)14(18)17-10-11(2)3/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQSSAYCUKJBZDGQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds7

About 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 109165522) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID109165522
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-4-5-7-15-13-9-12(6-8-16-13)14(18)17-10-11(2)3/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQSSAYCUKJBZDGQ-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115760555
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 109165522) is 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is CCCCNc1cc(C(=O)NCC(C)C)ccn1.
What is the InChIKey of 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is QSSAYCUKJBZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-7-15-13-9-12(6-8-16-13)14(18)17-10-11(2)3/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).