6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide

C12H18ClN3O — CID 55043625

IUPAC6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-3-5-6-16(4-2)12(17)9-7-10(13)11(14)15-8-9/h7-8H,3-6H2,1-2H3,(H2,14,15)
InChIKeyJZUWFNAZYIZHMS-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.58
Rot. Bonds5

About 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide

6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 55043625) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide
PubChem CID55043625
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-3-5-6-16(4-2)12(17)9-7-10(13)11(14)15-8-9/h7-8H,3-6H2,1-2H3,(H2,14,15)
InChIKeyJZUWFNAZYIZHMS-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-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

6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
CID 55042069
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 62185664
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide (CID 55043625) is 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide is CCCCN(CC)C(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is JZUWFNAZYIZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-5-6-16(4-2)12(17)9-7-10(13)11(14)15-8-9/h7-8H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide?
6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 55043625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).