1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide

C23H21FN2O2 — CID 97140868

IUPAC1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)c2ccncc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-28-20-8-2-16(3-9-20)21(17-10-14-25-15-11-17)26-22(27)23(12-13-23)18-4-6-19(24)7-5-18/h2-11,14-15,21H,12-13H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyXAYAMTJFPBCOBM-OAQYLSRUSA-N
MW376.43 g/mol
LogP4.17
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide (PubChem CID 97140868) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
PubChem CID97140868
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)c2ccncc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-28-20-8-2-16(3-9-20)21(17-10-14-25-15-11-17)26-22(27)23(12-13-23)18-4-6-19(24)7-5-18/h2-11,14-15,21H,12-13H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyXAYAMTJFPBCOBM-OAQYLSRUSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-methoxyphenyl)-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95806841
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
1-(4-fluorophenyl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 122287082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide (CID 97140868) is 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide is COc1ccc([C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)c2ccncc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide?
The InChIKey is XAYAMTJFPBCOBM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-28-20-8-2-16(3-9-20)21(17-10-14-25-15-11-17)26-22(27)23(12-13-23)18-4-6-19(24)7-5-18/h2-11,14-15,21H,12-13H2,1H3,(H,26,27)/t21-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97140868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).