2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid

C9H10ClN3O3 — CID 43553797

IUPAC2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
SMILESNC(=O)CCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H10ClN3O3/c10-6-3-5(9(15)16)4-8(13-6)12-2-1-7(11)14/h3-4H,1-2H2,(H2,11,14)(H,12,13)(H,15,16)
InChIKeyWTMVBAVXSZIDMX-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.72
Rot. Bonds5

About 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid

2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid (PubChem CID 43553797) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
PubChem CID43553797
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
SMILESNC(=O)CCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H10ClN3O3/c10-6-3-5(9(15)16)4-8(13-6)12-2-1-7(11)14/h3-4H,1-2H2,(H2,11,14)(H,12,13)(H,15,16)
InChIKeyWTMVBAVXSZIDMX-UHFFFAOYSA-N
XLogP0.72
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-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-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid (CID 43553797) is 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid is NC(=O)CCNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid?
The InChIKey is WTMVBAVXSZIDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-6-3-5(9(15)16)4-8(13-6)12-2-1-7(11)14/h3-4H,1-2H2,(H2,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid?
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid has a molecular weight of 243.65 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 43553797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).