3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide

C13H17ClN2O2 — CID 113336639

IUPAC3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccncc2Cl)CCO1
InChIInChI=1S/C13H17ClN2O2/c1-13(2)7-9(4-6-18-13)16-12(17)10-3-5-15-8-11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyGDIALBPSOPUVRX-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.42
Rot. Bonds2

About 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide

3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide (PubChem CID 113336639) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
PubChem CID113336639
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccncc2Cl)CCO1
InChIInChI=1S/C13H17ClN2O2/c1-13(2)7-9(4-6-18-13)16-12(17)10-3-5-15-8-11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyGDIALBPSOPUVRX-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 43176372
2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 43176373
2-Chloro-N-isopropylisonicotinamide
CID 12026212
N-(1-benzylpiperidin-4-yl)-2-chloropyridine-4-carboxamide
CID 32694175
N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 45814386
3-chloro-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyridine-4-carboxamide
CID 71916050
3-chloro-N-[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]pyridine-4-carboxamide
CID 75376452
2-[(3R,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
CID 11912804
2-[(3R,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide
CID 11942995
[4-(Diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
CID 91919112
3-chloro-N-(2,2-diethyl-4-hydroxybutyl)pyridine-4-carboxamide
CID 71848794
3-Chloro-N-(1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)isonicotinamide
CID 71976291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide (CID 113336639) is 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide is CC1(C)CC(NC(=O)c2ccncc2Cl)CCO1.
What is the InChIKey of 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The InChIKey is GDIALBPSOPUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2)7-9(4-6-18-13)16-12(17)10-3-5-15-8-11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113336639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).