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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131939405
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 78957760
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 86284423
N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106297578
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79487205
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 167792286
N-[1-(hydroxymethyl)cyclohexyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 62521639

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).