2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide

C14H23N3O — CID 109165401

IUPAC2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NC(C)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-7-9-15-13(10-12)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyVITRERBCKLLRNA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds7

About 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide

2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide (PubChem CID 109165401) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
PubChem CID109165401
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NC(C)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-7-9-15-13(10-12)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyVITRERBCKLLRNA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84575194
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
CID 109165472
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide (CID 109165401) is 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide is CCCCNC(=O)c1ccnc(NC(C)CC)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide?
The InChIKey is VITRERBCKLLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-7-9-15-13(10-12)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide?
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide is sourced from PubChem (CID 109165401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).