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

C22H19FN2O2 — CID 71010096

IUPAC5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(C2(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H19FN2O2/c1-14-19(12-24-13-20(14)23)21(27)25-17-6-2-15(3-7-17)22(10-11-22)16-4-8-18(26)9-5-16/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)
InChIKeyADIFRHJNSNQVKG-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.57
Rot. Bonds4

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

5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010096) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID71010096
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(C2(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H19FN2O2/c1-14-19(12-24-13-20(14)23)21(27)25-17-6-2-15(3-7-17)22(10-11-22)16-4-8-18(26)9-5-16/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)
InChIKeyADIFRHJNSNQVKG-UHFFFAOYSA-N
XLogP4.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide (CID 71010096) is 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1ccc(C2(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is ADIFRHJNSNQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-14-19(12-24-13-20(14)23)21(27)25-17-6-2-15(3-7-17)22(10-11-22)16-4-8-18(26)9-5-16/h2-9,12-13,26H,10-11H2,1H3,(H,25,27).
What are the key properties of 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[1-(4-hydroxyphenyl)cyclopropyl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).