(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate

C14H20N2O2 — CID 104743120

IUPAC(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyUYGSROBZWMFWSW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate

(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate (PubChem CID 104743120) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
PubChem CID104743120
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyUYGSROBZWMFWSW-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyridine-2-carbonyloxy)propyl 3,5,6-trimethylpyrazine-2-carboxylate
CID 168296372
Ethyl 3-[(3-{[2-(ethoxycarbonyl)-3-pyridinyl]amino}-3-oxopropanoyl)amino]-2-pyridinecarboxylate
CID 584972
Ethyl 3-aminopyridine-2-carboxylate
CID 565054
Ethyl 5-(difluoromethyl)-3-morpholin-4-ylpyridine-2-carboxylate
CID 134461733
2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-, methyl ester
CID 24844485
2-Pyridinecarboxylic acid, 3-((3-mercapto-2-methyl-1-oxopropyl)amino)-, methyl ester
CID 24844506
Ethyl 5-aminopyridine-2-carboxylate
CID 13816714
Tert-butyl 3-aminopyridine-2-carboxylate
CID 53444601
Pyridine-2-carboxylic acid (2-methyl-cyclohexylcarbamoyl)-methyl ester
CID 3155683
ethyl 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine-2-carboxylate
CID 13518568
Ethyl 3-amino-5-(trifluoromethyl)picolinate
CID 71743522
Methyl 5-cyano-3-morpholinopicolinate
CID 126482654

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate (CID 104743120) is (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate is CC1CC(C)CC(OC(=O)c2ncccc2N)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The InChIKey is UYGSROBZWMFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 104743120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).