2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide

C15H22N2O3 — CID 126436385

IUPAC2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC[C@@H]2CCOC2)c(C)[nH]1
InChIInChI=1S/C15H22N2O3/c1-10-8-13(18)14(11(2)17-10)15(19)16-6-3-4-12-5-7-20-9-12/h8,12H,3-7,9H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyWFTIRBFBSQAGRZ-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.54
Rot. Bonds5

About 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide

2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide (PubChem CID 126436385) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
PubChem CID126436385
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC[C@@H]2CCOC2)c(C)[nH]1
InChIInChI=1S/C15H22N2O3/c1-10-8-13(18)14(11(2)17-10)15(19)16-6-3-4-12-5-7-20-9-12/h8,12H,3-7,9H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyWFTIRBFBSQAGRZ-GFCCVEGCSA-N
XLogP1.54
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide (CID 126436385) is 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCC[C@@H]2CCOC2)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide?
The InChIKey is WFTIRBFBSQAGRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-13(18)14(11(2)17-10)15(19)16-6-3-4-12-5-7-20-9-12/h8,12H,3-7,9H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide?
2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126436385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).