5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide

C13H13ClN4O3 — CID 56797202

IUPAC5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H13ClN4O3/c14-10-4-8(12(15)20)5-17-13(10)18-7-11(19)16-6-9-2-1-3-21-9/h1-5H,6-7H2,(H2,15,20)(H,16,19)(H,17,18)
InChIKeyZGHKVFWIMPOAAX-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.16
Rot. Bonds6

About 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide

5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide (PubChem CID 56797202) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.72 g/mol. Its IUPAC name is 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
PubChem CID56797202
Molecular FormulaC13H13ClN4O3
Molecular Weight308.72 g/mol
Exact Mass308.07
IUPAC Name5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H13ClN4O3/c14-10-4-8(12(15)20)5-17-13(10)18-7-11(19)16-6-9-2-1-3-21-9/h1-5H,6-7H2,(H2,15,20)(H,16,19)(H,17,18)
InChIKeyZGHKVFWIMPOAAX-UHFFFAOYSA-N
XLogP1.16
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide (CID 56797202) is 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(NCC(=O)NCc2ccco2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide?
The InChIKey is ZGHKVFWIMPOAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-10-4-8(12(15)20)5-17-13(10)18-7-11(19)16-6-9-2-1-3-21-9/h1-5H,6-7H2,(H2,15,20)(H,16,19)(H,17,18).
What are the key properties of 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 56797202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).