4-amino-N-butyl-N-methylpyridine-2-carboxamide

C11H17N3O — CID 62153373

IUPAC4-amino-N-butyl-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N)ccn1
InChIInChI=1S/C11H17N3O/c1-3-4-7-14(2)11(15)10-8-9(12)5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyBTQHYTUUVJJWCG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-N-butyl-N-methylpyridine-2-carboxamide

4-amino-N-butyl-N-methylpyridine-2-carboxamide (PubChem CID 62153373) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-N-butyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-methylpyridine-2-carboxamide
PubChem CID62153373
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-N-butyl-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N)ccn1
InChIInChI=1S/C11H17N3O/c1-3-4-7-14(2)11(15)10-8-9(12)5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyBTQHYTUUVJJWCG-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-methylpyridine-2-carboxamide (CID 62153373) is 4-amino-N-butyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-butyl-N-methylpyridine-2-carboxamide?
The InChIKey is BTQHYTUUVJJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-7-14(2)11(15)10-8-9(12)5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13).
What are the key properties of 4-amino-N-butyl-N-methylpyridine-2-carboxamide?
4-amino-N-butyl-N-methylpyridine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62153373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).