5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 114047478

IUPAC5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCC1CNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyKGBZFGXYFGILRH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds4

About 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid

5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114047478) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
PubChem CID114047478
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCC1CNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyKGBZFGXYFGILRH-UHFFFAOYSA-N
XLogP2.21
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114047011
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid (CID 114047478) is 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid is CC1CCCC1CNc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is KGBZFGXYFGILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114047478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).