2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile

C22H18FN3O2 — CID 169413669

IUPAC2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-c2cc(F)cc(C(=O)N3CCCC3c3ccco3)c2)n1
InChIInChI=1S/C22H18FN3O2/c1-14-6-7-15(13-24)21(25-14)16-10-17(12-18(23)11-16)22(27)26-8-2-4-19(26)20-5-3-9-28-20/h3,5-7,9-12,19H,2,4,8H2,1H3
InChIKeyWSHMSLVCKGBCTL-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.64
Rot. Bonds3

About 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile

2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile (PubChem CID 169413669) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile
PubChem CID169413669
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-c2cc(F)cc(C(=O)N3CCCC3c3ccco3)c2)n1
InChIInChI=1S/C22H18FN3O2/c1-14-6-7-15(13-24)21(25-14)16-10-17(12-18(23)11-16)22(27)26-8-2-4-19(26)20-5-3-9-28-20/h3,5-7,9-12,19H,2,4,8H2,1H3
InChIKeyWSHMSLVCKGBCTL-UHFFFAOYSA-N
XLogP4.64
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 97112593
[2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70713236
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 99926957
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 51611887

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile (CID 169413669) is 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(-c2cc(F)cc(C(=O)N3CCCC3c3ccco3)c2)n1.
What is the InChIKey of 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile?
The InChIKey is WSHMSLVCKGBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-6-7-15(13-24)21(25-14)16-10-17(12-18(23)11-16)22(27)26-8-2-4-19(26)20-5-3-9-28-20/h3,5-7,9-12,19H,2,4,8H2,1H3.
What are the key properties of 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile?
2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile has a molecular weight of 375.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 169413669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).