5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid

C14H21N3O2 — CID 81439560

IUPAC5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(C(=O)O)cc2N)C1C
InChIInChI=1S/C14H21N3O2/c1-8-4-3-5-12(9(8)2)17-13-11(15)6-10(7-16-13)14(18)19/h6-9,12H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUEYBKNDPSUAAHL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds3

About 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid

5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439560) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID81439560
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(C(=O)O)cc2N)C1C
InChIInChI=1S/C14H21N3O2/c1-8-4-3-5-12(9(8)2)17-13-11(15)6-10(7-16-13)14(18)19/h6-9,12H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUEYBKNDPSUAAHL-UHFFFAOYSA-N
XLogP2.60
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[(2-methylcycloheptyl)amino]pyridine-3-carboxylic acid
CID 81440086
5-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-3-carboxylic acid
CID 81439688
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
5-amino-6-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81439379
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439878
methyl 1-[(2,3-dimethylcyclohexyl)amino]isoquinoline-4-carboxylate
CID 126476831
6-[(2,3-dimethylcyclohexyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403458
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 81439560) is 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid is CC1CCCC(Nc2ncc(C(=O)O)cc2N)C1C.
What is the InChIKey of 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UEYBKNDPSUAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-4-3-5-12(9(8)2)17-13-11(15)6-10(7-16-13)14(18)19/h6-9,12H,3-5,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,3-dimethylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).