3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide

C14H23N3O — CID 113447633

IUPAC3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ncccc1N)C(C)CC
InChIInChI=1S/C14H23N3O/c1-4-6-10-17(11(3)5-2)14(18)13-12(15)8-7-9-16-13/h7-9,11H,4-6,10,15H2,1-3H3
InChIKeyIIISKOZZTQLIEL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.70
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide

3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide (PubChem CID 113447633) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
PubChem CID113447633
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ncccc1N)C(C)CC
InChIInChI=1S/C14H23N3O/c1-4-6-10-17(11(3)5-2)14(18)13-12(15)8-7-9-16-13/h7-9,11H,4-6,10,15H2,1-3H3
InChIKeyIIISKOZZTQLIEL-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
3-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 104742102
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 104741773
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide (CID 113447633) is 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide is CCCCN(C(=O)c1ncccc1N)C(C)CC.
What is the InChIKey of 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The InChIKey is IIISKOZZTQLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-10-17(11(3)5-2)14(18)13-12(15)8-7-9-16-13/h7-9,11H,4-6,10,15H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide?
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide is sourced from PubChem (CID 113447633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).