2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide

C14H19ClN2O2 — CID 113378498

IUPAC2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOC(C)(C)C2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-9-6-10(7-12(15)16-9)13(18)17-11-4-5-19-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyBNKYVFMUHMOLJJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide (PubChem CID 113378498) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
PubChem CID113378498
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOC(C)(C)C2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-9-6-10(7-12(15)16-9)13(18)17-11-4-5-19-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyBNKYVFMUHMOLJJ-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 122132655
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415
3-(chloromethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033483
2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
CID 113378456
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide (CID 113378498) is 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2CCOC(C)(C)C2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide?
The InChIKey is BNKYVFMUHMOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-6-10(7-12(15)16-9)13(18)17-11-4-5-19-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).