6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide

C11H13ClN2O2 — CID 63295326

IUPAC6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c12-10-4-3-8(5-13-10)11(16)14-6-9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2,(H,14,16)
InChIKeyVCVQPTGLFUEUDL-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.24
Rot. Bonds4

About 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide

6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 63295326) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID63295326
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c12-10-4-3-8(5-13-10)11(16)14-6-9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2,(H,14,16)
InChIKeyVCVQPTGLFUEUDL-UHFFFAOYSA-N
XLogP1.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114326553
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide (CID 63295326) is 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide is O=C(NCC(O)C1CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is VCVQPTGLFUEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-4-3-8(5-13-10)11(16)14-6-9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2,(H,14,16).
What are the key properties of 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide?
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).