3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide

C13H19ClN2O2 — CID 103714844

IUPAC3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)6-9(17)7-16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyYIJBZXRXTKUNKS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds4

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

3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide (PubChem CID 103714844) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
PubChem CID103714844
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)6-9(17)7-16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyYIJBZXRXTKUNKS-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 81233183
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide (CID 103714844) is 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide is CC(C)(C)CC(O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The InChIKey is YIJBZXRXTKUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)6-9(17)7-16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 103714844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).