2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide

C11H15ClN2O2 — CID 66089719

IUPAC2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12/h2-3,5,8,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyYZJLUBDERABCDI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.48
Rot. Bonds5

About 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide

2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide (PubChem CID 66089719) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
PubChem CID66089719
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12/h2-3,5,8,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyYZJLUBDERABCDI-UHFFFAOYSA-N
XLogP1.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.48
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

5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide (CID 66089719) is 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide is CC(CCO)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The InChIKey is YZJLUBDERABCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12/h2-3,5,8,15H,4,6-7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 66089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).