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

C13H19N3O2 — CID 114047011

IUPAC5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(N)cc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-8-3-2-4-10(5-8)16-12-11(13(17)18)6-9(14)7-15-12/h6-8,10H,2-5,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUDKPTAFZJLZTNC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds3

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

5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 114047011) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID114047011
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(N)cc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-8-3-2-4-10(5-8)16-12-11(13(17)18)6-9(14)7-15-12/h6-8,10H,2-5,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUDKPTAFZJLZTNC-UHFFFAOYSA-N
XLogP2.35
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 63537993
5-amino-2-[(4-methylsulfanylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114124374
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 114047149
CID 88981850
CID 88981850
1-[(3-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid
CID 43370641
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
5-amino-2-(thiolan-3-ylamino)pyridine-3-carboxamide
CID 103062322
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 114047011) is 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is CC1CCCC(Nc2ncc(N)cc2C(=O)O)C1.
What is the InChIKey of 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UDKPTAFZJLZTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-3-2-4-10(5-8)16-12-11(13(17)18)6-9(14)7-15-12/h6-8,10H,2-5,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114047011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).