N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide

C12H16N2O4 — CID 103849205

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCOC2)cc1=O
InChIInChI=1S/C12H16N2O4/c1-14-4-2-9(6-10(14)15)11(16)13-7-12(17)3-5-18-8-12/h2,4,6,17H,3,5,7-8H2,1H3,(H,13,16)
InChIKeyPZSSYRLLMUDHML-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.73
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103849205) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103849205
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCOC2)cc1=O
InChIInChI=1S/C12H16N2O4/c1-14-4-2-9(6-10(14)15)11(16)13-7-12(17)3-5-18-8-12/h2,4,6,17H,3,5,7-8H2,1H3,(H,13,16)
InChIKeyPZSSYRLLMUDHML-UHFFFAOYSA-N
XLogP-0.73
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 79038757
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
2-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 106102857
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 103849205) is N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC2(O)CCOC2)cc1=O.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is PZSSYRLLMUDHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14-4-2-9(6-10(14)15)11(16)13-7-12(17)3-5-18-8-12/h2,4,6,17H,3,5,7-8H2,1H3,(H,13,16).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103849205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).