cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide

C11H13FN2O — CID 154876031

IUPACcis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1C[C@H]1CF
InChIInChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyTYFFVSFZMUBUOV-DTWKUNHWSA-N
MW208.24 g/mol
LogP1.93
Rot. Bonds3

About cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide

cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 154876031) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID154876031
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Namecis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1C[C@H]1CF
InChIInChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyTYFFVSFZMUBUOV-DTWKUNHWSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2,2,2-Trimethylacetamido)pyridine
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2-(3-methylphenyl)-N-pyridin-3-ylacetamide
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CID 5865796
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CID 2933570

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 154876031) is cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1ccncc1NC(=O)[C@@H]1C[C@H]1CF.
What is the InChIKey of cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is TYFFVSFZMUBUOV-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(fluoromethyl)-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154876031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).