5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

C14H15N3O4 — CID 63158037

IUPAC5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-2-17(9-12-4-3-5-21-12)14(20)16-11-6-10(13(18)19)7-15-8-11/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDCZLHOKHOXQECB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.43
Rot. Bonds5

About 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63158037) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63158037
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-2-17(9-12-4-3-5-21-12)14(20)16-11-6-10(13(18)19)7-15-8-11/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDCZLHOKHOXQECB-UHFFFAOYSA-N
XLogP2.43
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-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

3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743357
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157676
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63158037) is 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is CCN(Cc1ccco1)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is DCZLHOKHOXQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-17(9-12-4-3-5-21-12)14(20)16-11-6-10(13(18)19)7-15-8-11/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).