2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide

C15H22N2O3 — CID 99977635

IUPAC2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C15H22N2O3/c1-3-6-17(10-13-5-4-7-20-13)15(19)12-8-11(2)16-14(18)9-12/h8-9,13H,3-7,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyLJCGESLARWXXIC-CYBMUJFWSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds5

About 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide

2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide (PubChem CID 99977635) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
PubChem CID99977635
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C15H22N2O3/c1-3-6-17(10-13-5-4-7-20-13)15(19)12-8-11(2)16-14(18)9-12/h8-9,13H,3-7,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyLJCGESLARWXXIC-CYBMUJFWSA-N
XLogP1.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide (CID 99977635) is 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide is CCCN(C[C@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide?
The InChIKey is LJCGESLARWXXIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-6-17(10-13-5-4-7-20-13)15(19)12-8-11(2)16-14(18)9-12/h8-9,13H,3-7,10H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide?
2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 99977635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).