4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide

C13H19ClN2O2 — CID 103899472

IUPAC4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,5-3-7-17)9-16-12(18)11-8-10(14)4-6-15-11/h4,6,8,17H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyCSRKTMNOGLBCKU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds6

About 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide

4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 103899472) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
PubChem CID103899472
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,5-3-7-17)9-16-12(18)11-8-10(14)4-6-15-11/h4,6,8,17H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyCSRKTMNOGLBCKU-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide (CID 103899472) is 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide is CC(C)(CCCO)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is CSRKTMNOGLBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,5-3-7-17)9-16-12(18)11-8-10(14)4-6-15-11/h4,6,8,17H,3,5,7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 103899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).