N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H12N2O3 — CID 114039115

IUPACN-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H12N2O3/c1-14(7-9-3-5-17-8-9)12(16)10-6-13-4-2-11(10)15/h2-6,8H,7H2,1H3,(H,13,15)
InChIKeyUGYVAFDGQMHALF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.24
Rot. Bonds3

About N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039115) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039115
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H12N2O3/c1-14(7-9-3-5-17-8-9)12(16)10-6-13-4-2-11(10)15/h2-6,8H,7H2,1H3,(H,13,15)
InChIKeyUGYVAFDGQMHALF-UHFFFAOYSA-N
XLogP1.24
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 61151195
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337352
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
CID 61421960
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377
5-chloro-N-(furan-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 107252485
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 114039115) is N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is CN(Cc1ccoc1)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UGYVAFDGQMHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14(7-9-3-5-17-8-9)12(16)10-6-13-4-2-11(10)15/h2-6,8H,7H2,1H3,(H,13,15).
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).