1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide

C12H16N2O3 — CID 113232784

IUPAC1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCOC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-14-5-4-9(7-11(14)15)12(16)13-10-3-2-6-17-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,16)
InChIKeyRZRZTNWBUGKWKB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.29
Rot. Bonds2

About 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide

1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide (PubChem CID 113232784) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
PubChem CID113232784
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCOC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-14-5-4-9(7-11(14)15)12(16)13-10-3-2-6-17-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,16)
InChIKeyRZRZTNWBUGKWKB-UHFFFAOYSA-N
XLogP0.29
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
1-methyl-N-(3-methylcyclopentyl)-2-oxopyridine-4-carboxamide
CID 114549550
N-(1-acetylpiperidin-4-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103611671
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66256432
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide (CID 113232784) is 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CCCOC2)cc1=O.
What is the InChIKey of 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide?
The InChIKey is RZRZTNWBUGKWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14-5-4-9(7-11(14)15)12(16)13-10-3-2-6-17-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,16).
What are the key properties of 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 113232784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).