2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide

C13H18N2O3 — CID 86284995

IUPAC2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-6-10(7-12(16)15-9)13(17)14-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyVXECYXLZPBTTER-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds3

About 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide

2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 86284995) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID86284995
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-6-10(7-12(16)15-9)13(17)14-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyVXECYXLZPBTTER-UHFFFAOYSA-N
XLogP0.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide (CID 86284995) is 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VXECYXLZPBTTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-10(7-12(16)15-9)13(17)14-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide?
2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 86284995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).