2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid

C13H13N3O4 — CID 114324730

IUPAC2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid
SMILESNCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C13H13N3O4/c14-6-10-1-2-11(20-10)12(17)16-7-9-5-8(13(18)19)3-4-15-9/h1-5H,6-7,14H2,(H,16,17)(H,18,19)
InChIKeyDWVUFYGQTDWHKW-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.76
Rot. Bonds5

About 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324730) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324730
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid
SMILESNCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C13H13N3O4/c14-6-10-1-2-11(20-10)12(17)16-7-9-5-8(13(18)19)3-4-15-9/h1-5H,6-7,14H2,(H,16,17)(H,18,19)
InChIKeyDWVUFYGQTDWHKW-UHFFFAOYSA-N
XLogP0.76
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]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-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325057
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045
2-[[[5-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 144600131
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid (CID 114324730) is 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid is NCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)o1.
What is the InChIKey of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is DWVUFYGQTDWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-6-10-1-2-11(20-10)12(17)16-7-9-5-8(13(18)19)3-4-15-9/h1-5H,6-7,14H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).