2-(propylamino)pyridine-3-carboxylate

C9H11N2O2- — CID 22068597

IUPAC2-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1ncccc1C(=O)[O-]
InChIInChI=1S/C9H12N2O2/c1-2-5-10-8-7(9(12)13)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13)/p-1
InChIKeyGYONGVMXQDSGRB-UHFFFAOYSA-M
MW179.20 g/mol
LogP0.27
Rot. Bonds4

About 2-(propylamino)pyridine-3-carboxylate

2-(propylamino)pyridine-3-carboxylate (PubChem CID 22068597) has the molecular formula C9H11N2O2- and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(propylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(propylamino)pyridine-3-carboxylate
PubChem CID22068597
Molecular FormulaC9H11N2O2-
Molecular Weight179.20 g/mol
Exact Mass179.08
IUPAC Name2-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1ncccc1C(=O)[O-]
InChIInChI=1S/C9H12N2O2/c1-2-5-10-8-7(9(12)13)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13)/p-1
InChIKeyGYONGVMXQDSGRB-UHFFFAOYSA-M
XLogP0.27
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(propylamino)pyridine-3-carboxylate 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-(butylamino)pyridine-3-carboxamide
CID 29031037
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
N-ethyl-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62181530
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)pyridine-3-carboxylate?
The IUPAC name of 2-(propylamino)pyridine-3-carboxylate (CID 22068597) is 2-(propylamino)pyridine-3-carboxylate.
What is the SMILES notation for 2-(propylamino)pyridine-3-carboxylate?
The canonical SMILES for 2-(propylamino)pyridine-3-carboxylate is CCCNc1ncccc1C(=O)[O-].
What is the InChIKey of 2-(propylamino)pyridine-3-carboxylate?
The InChIKey is GYONGVMXQDSGRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2/c1-2-5-10-8-7(9(12)13)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13)/p-1.
What are the key properties of 2-(propylamino)pyridine-3-carboxylate?
2-(propylamino)pyridine-3-carboxylate has a molecular weight of 179.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)pyridine-3-carboxylate is sourced from PubChem (CID 22068597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).