cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C16H15FN2O — CID 51458730

IUPACcis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O/c1-10-6-7-18-15(8-10)19-16(20)13-9-12(13)11-4-2-3-5-14(11)17/h2-8,12-13H,9H2,1H3,(H,18,19,20)/t12-,13-/m0/s1
InChIKeyZZZSGUHFZCOJLA-STQMWFEESA-N
MW270.31 g/mol
LogP3.27
Rot. Bonds3

About cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 51458730) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID51458730
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Namecis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O/c1-10-6-7-18-15(8-10)19-16(20)13-9-12(13)11-4-2-3-5-14(11)17/h2-8,12-13H,9H2,1H3,(H,18,19,20)/t12-,13-/m0/s1
InChIKeyZZZSGUHFZCOJLA-STQMWFEESA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 51458730) is cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1.
What is the InChIKey of cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is ZZZSGUHFZCOJLA-STQMWFEESA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-6-7-18-15(8-10)19-16(20)13-9-12(13)11-4-2-3-5-14(11)17/h2-8,12-13H,9H2,1H3,(H,18,19,20)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51458730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).