(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate

C16H24N2O2 — CID 104743106

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-7-6-11(3)9-14(12)20-16(19)15-13(17)5-4-8-18-15/h4-5,8,10-12,14H,6-7,9,17H2,1-3H3
InChIKeyQUWOEJAORYJQGD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate (PubChem CID 104743106) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
PubChem CID104743106
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-7-6-11(3)9-14(12)20-16(19)15-13(17)5-4-8-18-15/h4-5,8,10-12,14H,6-7,9,17H2,1-3H3
InChIKeyQUWOEJAORYJQGD-UHFFFAOYSA-N
XLogP3.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
CID 8633
(5-methyl-2-propan-2-ylcyclohexyl) 2-amino-6-methylbenzoate
CID 63446667
(5-methyl-2-propan-2-ylcyclohexyl) 3-amino-2-methylbenzoate
CID 63446666
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743120
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminophenyl)acetate
CID 61308508
5-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyridine-2,5-dicarboxylate
CID 11885671
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
(5-methyl-2-propan-2-ylcyclohexyl) 2-amino-5-[[4-amino-3-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylphenyl]diselanyl]benzoate
CID 170519195
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate (CID 104743106) is (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate is CC1CCC(C(C)C)C(OC(=O)c2ncccc2N)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate?
The InChIKey is QUWOEJAORYJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)12-7-6-11(3)9-14(12)20-16(19)15-13(17)5-4-8-18-15/h4-5,8,10-12,14H,6-7,9,17H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 104743106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).