2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide

C13H17ClN2O2 — CID 114105394

IUPAC2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCOC2C)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-11(6-12(14)16-8)13(17)15-7-10-3-4-18-9(10)2/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyKKNVHTNVDULXGC-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 114105394) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
PubChem CID114105394
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCOC2C)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-11(6-12(14)16-8)13(17)15-7-10-3-4-18-9(10)2/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyKKNVHTNVDULXGC-UHFFFAOYSA-N
XLogP2.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.20
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

5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 136539617
6-chloro-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 156885797
2-chloro-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 156885812
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 156885986
2,6-dichloro-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-4-carboxamide
CID 78861921
6-chloro-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 100658296
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyridine-4-carboxamide
CID 103082378
2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 103528299
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 104122074
2-chloro-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 104122544
2-chloro-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 104122553
2-chloro-6-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 104122554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide (CID 114105394) is 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCOC2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is KKNVHTNVDULXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-5-11(6-12(14)16-8)13(17)15-7-10-3-4-18-9(10)2/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114105394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).