4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid

C12H10N2O4 — CID 53270691

IUPAC4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)NCc1ccco1
InChIInChI=1S/C12H10N2O4/c15-11(14-6-8-2-1-5-18-8)9-3-4-13-7-10(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17)
InChIKeyQYBLPCJWPYCLAT-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.30
Rot. Bonds4

About 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid

4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 53270691) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID53270691
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)NCc1ccco1
InChIInChI=1S/C12H10N2O4/c15-11(14-6-8-2-1-5-18-8)9-3-4-13-7-10(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17)
InChIKeyQYBLPCJWPYCLAT-UHFFFAOYSA-N
XLogP1.30
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110850532
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
4-[(4-bromothiophen-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114244409
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid (CID 53270691) is 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1C(=O)NCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is QYBLPCJWPYCLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11(14-6-8-2-1-5-18-8)9-3-4-13-7-10(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17).
What are the key properties of 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53270691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).