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

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Related Compounds

2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013569
2-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013566
2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol
CID 65401361
2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020503
4-[(4-ethylcyclohexyl)methyl]pyridin-2-amine
CID 64773866
2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
CID 65412111
4-(2-amino-3,3-dicyclopropylpropyl)pyridin-2-amine
CID 112743681
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 146729966
[1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide
CID 163502987
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021482

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).