6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide

C18H19ClN2O2 — CID 71105549

IUPAC6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1
InChIInChI=1S/C18H19ClN2O2/c1-12-10-15(8-9-23-12)20-18(22)17-7-3-6-16(21-17)13-4-2-5-14(19)11-13/h2-7,11-12,15H,8-10H2,1H3,(H,20,22)
InChIKeyOVABTRALKDLHGA-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.70
Rot. Bonds3

About 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide

6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide (PubChem CID 71105549) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
PubChem CID71105549
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1
InChIInChI=1S/C18H19ClN2O2/c1-12-10-15(8-9-23-12)20-18(22)17-7-3-6-16(21-17)13-4-2-5-14(19)11-13/h2-7,11-12,15H,8-10H2,1H3,(H,20,22)
InChIKeyOVABTRALKDLHGA-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide (CID 71105549) is 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide is CC1CC(NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1.
What is the InChIKey of 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The InChIKey is OVABTRALKDLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-10-15(8-9-23-12)20-18(22)17-7-3-6-16(21-17)13-4-2-5-14(19)11-13/h2-7,11-12,15H,8-10H2,1H3,(H,20,22).
What are the key properties of 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide has a molecular weight of 330.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(2-methyloxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).