trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide

C23H21FN2O — CID 92854461

IUPACtrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1
InChIKeyALWZCWKSKGKFDA-WIAZPKGDSA-N
MW360.43 g/mol
LogP4.21
Rot. Bonds4

About trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide (PubChem CID 92854461) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
PubChem CID92854461
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1
InChIKeyALWZCWKSKGKFDA-WIAZPKGDSA-N
XLogP4.21
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropanecarboxamide
CID 45848423
3-Benzyl-3-(4-fluorobenzyl)imidazo[1,2-a]pyridin-2(3H)-one
CID 18008032
4-[7-(2,4-Difluorophenyl)-2-methyl-5-oxo-2,4-diazabicyclo[4.1.0]hept-3-en-3-yl]benzonitrile
CID 46215737
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(4-fluorophenyl)phenyl]-6-methylpyrimidin-4-one
CID 57415530
2-[(4-Fluorophenyl)methyl]-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
CID 58286827
2-(2-Cyclopropylethyl)-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
CID 58286873
2-Benzyl-5-(3-fluoro-4-propan-2-ylphenyl)-3-methylpyrimidin-4-one
CID 59304395
N-[1-(cyclopropylmethyl)-5-phenylpyridin-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
CID 59866158
2-Benzyl-5-(3-fluoro-4-methylphenyl)-3-methylpyrimidin-4-one
CID 68223447
3-[[1-(Cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(4-fluorophenyl)phenyl]-6-methylpyrimidin-4-one
CID 76528889
7-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]-3-fluorophenyl]-5-[(3,4-difluorophenyl)methyl]-N-ethyl-3,4-dimethyl-N-(3,5,5-trimethylpyrrol-2-yl)-4,5-dihydro-3H-azepine-2-carboxamide
CID 123232244
6-Ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one
CID 141208917

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide (CID 92854461) is trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide is Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The InChIKey is ALWZCWKSKGKFDA-WIAZPKGDSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide is sourced from PubChem (CID 92854461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).