4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C13H18N2O3 — CID 78957550

IUPAC4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(C)COC2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-4-9(2)15-12(17)10(8)11(16)14-5-13(3)6-18-7-13/h4H,5-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyADTUVJMRCNNSII-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.76
Rot. Bonds3

About 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 78957550) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID78957550
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(C)COC2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-4-9(2)15-12(17)10(8)11(16)14-5-13(3)6-18-7-13/h4H,5-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyADTUVJMRCNNSII-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 78957550) is 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2(C)COC2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ADTUVJMRCNNSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-9(2)15-12(17)10(8)11(16)14-5-13(3)6-18-7-13/h4H,5-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 78957550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).