5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid

C14H21N3O2 — CID 81440147

IUPAC5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(N(C)c2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-11(6-9)17(2)13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyLPGHXKZSCANPOV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds3

About 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid

5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 81440147) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID81440147
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(N(C)c2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-11(6-9)17(2)13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyLPGHXKZSCANPOV-UHFFFAOYSA-N
XLogP2.38
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 81440147) is 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is CC1CCCC(N(C)c2ncc(C(=O)O)cc2N)C1.
What is the InChIKey of 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LPGHXKZSCANPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-3-5-11(6-9)17(2)13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,3-6,15H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81440147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).