N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide

C12H17ClN2O2 — CID 60742751

IUPACN-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-3-7-15(8-9-16)12(17)10-5-4-6-14-11(10)13/h4-6,16H,2-3,7-9H2,1H3
InChIKeyFNBLRFGRJUZLMS-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.97
Rot. Bonds6

About N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide

N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 60742751) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID60742751
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-3-7-15(8-9-16)12(17)10-5-4-6-14-11(10)13/h4-6,16H,2-3,7-9H2,1H3
InChIKeyFNBLRFGRJUZLMS-UHFFFAOYSA-N
XLogP1.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-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

2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
N-butyl-3-chloro-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 115541108
2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
CID 15439964
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
butyl 2-chloropyridine-3-carboxylate
CID 11310412
N-butyl-3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60742726
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 60742751) is N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCCCN(CCO)C(=O)c1cccnc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is FNBLRFGRJUZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-3-7-15(8-9-16)12(17)10-5-4-6-14-11(10)13/h4-6,16H,2-3,7-9H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 60742751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).