2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid

C17H26N2O2 — CID 81013735

IUPAC2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
SMILESCc1ccnc(N)c1C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C17H26N2O2/c1-10-7-8-19-15(18)14(10)13-9-11(17(2,3)4)5-6-12(13)16(20)21/h7-8,11-13H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21)
InChIKeyDFBUVJHQKNESOJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid

2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid (PubChem CID 81013735) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
PubChem CID81013735
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
SMILESCc1ccnc(N)c1C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C17H26N2O2/c1-10-7-8-19-15(18)14(10)13-9-11(17(2,3)4)5-6-12(13)16(20)21/h7-8,11-13H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21)
InChIKeyDFBUVJHQKNESOJ-UHFFFAOYSA-N
XLogP3.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid (CID 81013735) is 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid is Cc1ccnc(N)c1C1CC(C(C)(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid?
The InChIKey is DFBUVJHQKNESOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10-7-8-19-15(18)14(10)13-9-11(17(2,3)4)5-6-12(13)16(20)21/h7-8,11-13H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21).
What are the key properties of 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid?
2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81013735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).