trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H17FN2O2 — CID 96522930

IUPACtrans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-10-7-16(21)20(2)9-15(10)19-17(22)14-8-13(14)11-3-5-12(18)6-4-11/h3-7,9,13-14H,8H2,1-2H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyDLJBLXQDIRRBNK-KGLIPLIRSA-N
MW300.33 g/mol
LogP2.58
Rot. Bonds3

About trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 96522930) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID96522930
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Nametrans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-10-7-16(21)20(2)9-15(10)19-17(22)14-8-13(14)11-3-5-12(18)6-4-11/h3-7,9,13-14H,8H2,1-2H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyDLJBLXQDIRRBNK-KGLIPLIRSA-N
XLogP2.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
(2R,3R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methyloxane-3-carboxamide
CID 129399642
4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673991
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94812943
2-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51292131
N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 119343326
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454
2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
CID 119214366
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 96522930) is trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DLJBLXQDIRRBNK-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-10-7-16(21)20(2)9-15(10)19-17(22)14-8-13(14)11-3-5-12(18)6-4-11/h3-7,9,13-14H,8H2,1-2H3,(H,19,22)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96522930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).