2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid

C13H13N3O4 — CID 114325057

IUPAC2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(NCc1cc(C(=O)O)ccn1)NCc1ccco1
InChIInChI=1S/C13H13N3O4/c17-12(18)9-3-4-14-10(6-9)7-15-13(19)16-8-11-2-1-5-20-11/h1-6H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyHHQUCNMUCYNJBP-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.37
Rot. Bonds5

About 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid

2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 114325057) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
PubChem CID114325057
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(NCc1cc(C(=O)O)ccn1)NCc1ccco1
InChIInChI=1S/C13H13N3O4/c17-12(18)9-3-4-14-10(6-9)7-15-13(19)16-8-11-2-1-5-20-11/h1-6H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyHHQUCNMUCYNJBP-UHFFFAOYSA-N
XLogP1.37
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221
2-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 106403853
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(2-methylsulfanylpropylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113466776
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
4-bromo-3-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 107813898
2-[(2-imidazol-1-ylethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325207
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325328
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244

Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid (CID 114325057) is 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid is O=C(NCc1cc(C(=O)O)ccn1)NCc1ccco1.
What is the InChIKey of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is HHQUCNMUCYNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(18)9-3-4-14-10(6-9)7-15-13(19)16-8-11-2-1-5-20-11/h1-6H,7-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).