3-amino-N-butyl-N-ethylpyridine-4-carboxamide

C12H19N3O — CID 105068020

IUPAC3-amino-N-butyl-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O/c1-3-5-8-15(4-2)12(16)10-6-7-14-9-11(10)13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyPITGYABSOSNCIY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-N-butyl-N-ethylpyridine-4-carboxamide

3-amino-N-butyl-N-ethylpyridine-4-carboxamide (PubChem CID 105068020) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-N-butyl-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-ethylpyridine-4-carboxamide
PubChem CID105068020
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-N-butyl-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O/c1-3-5-8-15(4-2)12(16)10-6-7-14-9-11(10)13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyPITGYABSOSNCIY-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-butyl-N-ethylpyridine-4-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

3-[4-[butyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77135062
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
N-ethyl-3-hydrazinyl-N-propylpyridine-4-carboxamide
CID 105072006
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387835
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-ethylpyridine-4-carboxamide?
The IUPAC name of 3-amino-N-butyl-N-ethylpyridine-4-carboxamide (CID 105068020) is 3-amino-N-butyl-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-butyl-N-ethylpyridine-4-carboxamide is CCCCN(CC)C(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-butyl-N-ethylpyridine-4-carboxamide?
The InChIKey is PITGYABSOSNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-8-15(4-2)12(16)10-6-7-14-9-11(10)13/h6-7,9H,3-5,8,13H2,1-2H3.
What are the key properties of 3-amino-N-butyl-N-ethylpyridine-4-carboxamide?
3-amino-N-butyl-N-ethylpyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 105068020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).