[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate

C17H17NO2 — CID 75405434

IUPAC[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H17NO2/c1-12-11-15(12)17(19)20-16(13-5-3-2-4-6-13)14-7-9-18-10-8-14/h2-10,12,15-16H,11H2,1H3
InChIKeyHIDZQKLQAUHDGQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate

[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 75405434) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
PubChem CID75405434
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H17NO2/c1-12-11-15(12)17(19)20-16(13-5-3-2-4-6-13)14-7-9-18-10-8-14/h2-10,12,15-16H,11H2,1H3
InChIKeyHIDZQKLQAUHDGQ-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ibuprofen Piconol
CID 3673
Benzoylmethyl pyridine-4-carboxylate
CID 2346313
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
4-Pyridylmethyl 1-adamantanecarboxylate
CID 9838340
Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester
CID 9971194
2-(4-Pyridyl)propan-2-yl 1-adamantanecarboxylate
CID 10447478
Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-yl-ethyl ester
CID 10566080
Adamantane-1-carboxylic acid (R)-1-pyridin-3-yl-ethyl ester
CID 10660816
Adamantane-1-carboxylic acid (S)-1-pyridin-3-yl-ethyl ester
CID 10755577
Adamantane-1-carboxylic acid pyridin-3-ylmethyl ester
CID 10826001
Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-ethyl ester
CID 10827014
methyl (E)-7-phenyl-7-(3-pyridyl)-6-heptenoate
CID 13417302

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate (CID 75405434) is [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OC(c1ccccc1)c1ccncc1.
What is the InChIKey of [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is HIDZQKLQAUHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-11-15(12)17(19)20-16(13-5-3-2-4-6-13)14-7-9-18-10-8-14/h2-10,12,15-16H,11H2,1H3.
What are the key properties of [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate?
[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 75405434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).