5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide

C12H17ClN2O2 — CID 103782372

IUPAC5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)10(5-6-16)15-12(17)11-4-3-9(13)7-14-11/h3-4,7-8,10,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyGQNCVSBBBOBXOW-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.87
Rot. Bonds5

About 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide

5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide (PubChem CID 103782372) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
PubChem CID103782372
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)10(5-6-16)15-12(17)11-4-3-9(13)7-14-11/h3-4,7-8,10,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyGQNCVSBBBOBXOW-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide (CID 103782372) is 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide is CC(C)C(CCO)NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide?
The InChIKey is GQNCVSBBBOBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)10(5-6-16)15-12(17)11-4-3-9(13)7-14-11/h3-4,7-8,10,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide?
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103782372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).