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

C12H17ClN2O3 — CID 103712367

IUPAC4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O3/c1-12(17,4-6-18-2)8-15-11(16)10-7-9(13)3-5-14-10/h3,5,7,17H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyYBBBEPLPCSCOEI-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.25
Rot. Bonds6

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

4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide (PubChem CID 103712367) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
PubChem CID103712367
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O3/c1-12(17,4-6-18-2)8-15-11(16)10-7-9(13)3-5-14-10/h3,5,7,17H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyYBBBEPLPCSCOEI-UHFFFAOYSA-N
XLogP1.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 103712589
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide (CID 103712367) is 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide is COCCC(C)(O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is YBBBEPLPCSCOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-12(17,4-6-18-2)8-15-11(16)10-7-9(13)3-5-14-10/h3,5,7,17H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide?
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 272.73 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103712367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).