5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid

C13H17N3O2 — CID 81440083

IUPAC5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C13H17N3O2/c14-11-5-9(13(17)18)6-15-12(11)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7,14H2,(H,17,18)
InChIKeyXRHWWOYBCNTBEK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.74
Rot. Bonds5

About 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid

5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81440083) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID81440083
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C13H17N3O2/c14-11-5-9(13(17)18)6-15-12(11)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7,14H2,(H,17,18)
InChIKeyXRHWWOYBCNTBEK-UHFFFAOYSA-N
XLogP1.74
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-[cyclopropyl(cyclopropylmethyl)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

5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101
5-amino-6-[cyclopropylmethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439216
2-amino-5-[cyclopropyl(cyclopropylmethyl)amino]benzoic acid
CID 64520831
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81440147
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 55009351
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439115
5,6-diaminopyridine-3-carboxylic acid
CID 22476298

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid (CID 81440083) is 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XRHWWOYBCNTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-5-9(13(17)18)6-15-12(11)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7,14H2,(H,17,18).
What are the key properties of 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81440083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).