5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide

C23H21FN2O2 — CID 70978246

IUPAC5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C2(c3ccc(NC(=O)c4cncc(F)c4C)cc3)CC2)cc1
InChIInChI=1S/C23H21FN2O2/c1-15-20(13-25-14-21(15)24)22(27)26-18-7-3-16(4-8-18)23(11-12-23)17-5-9-19(28-2)10-6-17/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)
InChIKeyPULXNTOQPGJVSB-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.87
Rot. Bonds5

About 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 70978246) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID70978246
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C2(c3ccc(NC(=O)c4cncc(F)c4C)cc3)CC2)cc1
InChIInChI=1S/C23H21FN2O2/c1-15-20(13-25-14-21(15)24)22(27)26-18-7-3-16(4-8-18)23(11-12-23)17-5-9-19(28-2)10-6-17/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)
InChIKeyPULXNTOQPGJVSB-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide (CID 70978246) is 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide is COc1ccc(C2(c3ccc(NC(=O)c4cncc(F)c4C)cc3)CC2)cc1.
What is the InChIKey of 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is PULXNTOQPGJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-15-20(13-25-14-21(15)24)22(27)26-18-7-3-16(4-8-18)23(11-12-23)17-5-9-19(28-2)10-6-17/h3-10,13-14H,11-12H2,1-2H3,(H,26,27).
What are the key properties of 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[1-(4-methoxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).