2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid

C16H24N2O2 — CID 81020825

IUPAC2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(Cc2ccnc(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-3-4-14(16(19)20)13(9-12)7-11-5-6-18-15(17)8-11/h5-6,8,10,12-14H,3-4,7,9H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyOKZVXIAHYFOGRT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid

2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020825) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020825
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(Cc2ccnc(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-3-4-14(16(19)20)13(9-12)7-11-5-6-18-15(17)8-11/h5-6,8,10,12-14H,3-4,7,9H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyOKZVXIAHYFOGRT-UHFFFAOYSA-N
XLogP2.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020825) is 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC(C(=O)O)C(Cc2ccnc(N)c2)C1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is OKZVXIAHYFOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)12-3-4-14(16(19)20)13(9-12)7-11-5-6-18-15(17)8-11/h5-6,8,10,12-14H,3-4,7,9H2,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).