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

C13H18N2O4 — CID 79038757

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCOCC2)cc1=O
InChIInChI=1S/C13H18N2O4/c1-15-5-2-10(8-11(15)16)12(17)14-9-13(18)3-6-19-7-4-13/h2,5,8,18H,3-4,6-7,9H2,1H3,(H,14,17)
InChIKeyRWGBDYNHJLVTHO-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.34
Rot. Bonds3

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

N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 79038757) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID79038757
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCOCC2)cc1=O
InChIInChI=1S/C13H18N2O4/c1-15-5-2-10(8-11(15)16)12(17)14-9-13(18)3-6-19-7-4-13/h2,5,8,18H,3-4,6-7,9H2,1H3,(H,14,17)
InChIKeyRWGBDYNHJLVTHO-UHFFFAOYSA-N
XLogP-0.34
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103849205
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111486100
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
N-[(4-hydroxyoxan-4-yl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103712064
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 79038757) is N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC2(O)CCOCC2)cc1=O.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is RWGBDYNHJLVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15-5-2-10(8-11(15)16)12(17)14-9-13(18)3-6-19-7-4-13/h2,5,8,18H,3-4,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 79038757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).