2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide

C15H21ClN2O2 — CID 114629350

IUPAC2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CC(O)C2(C)C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c1-4-5-10-6-9(7-13(16)17-10)14(20)18-11-8-12(19)15(11,2)3/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyWKFLKFIWDMHSOH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide (PubChem CID 114629350) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
PubChem CID114629350
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CC(O)C2(C)C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c1-4-5-10-6-9(7-13(16)17-10)14(20)18-11-8-12(19)15(11,2)3/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyWKFLKFIWDMHSOH-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.58
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

6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide
CID 132167406
(3S)-3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 92044320
N-(trans-4-hydroxycyclohexyl)-2,6-dimethylisonicotinamide
CID 74232622
4-(5-Chloro-6-methylpyridin-2-YL)-N-[(3-methyloxetan-3-YL)methyl]benzamide
CID 124209558
2-chloro-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-6-methylpyridine-4-carboxamide
CID 21085445
2-chloro-N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-6-methylpyridine-4-carboxamide
CID 57451578
2-chloro-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-6-methylpyridine-4-carboxamide
CID 57508200
(2R,4R)-4-[(4-acetyl-6-chloro-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 175223888
2-Chloro-5,6,7,8-tetrahydroquinoline-4-carboxylic acid isopropylamide
CID 15270209
2-tert-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 104133458
2-chloro-N-(2-hydroxyethyl)-6-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 104134437
2-chloro-6-propyl-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 104135484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide (CID 114629350) is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC2CC(O)C2(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide?
The InChIKey is WKFLKFIWDMHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-5-10-6-9(7-13(16)17-10)14(20)18-11-8-12(19)15(11,2)3/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 114629350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).