N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide

C23H20FN5O2 — CID 170425698

IUPACN-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(C#N)c3)C2)[nH]1
InChIInChI=1S/C23H20FN5O2/c1-14-18(3-2-9-26-14)20-6-7-21(28-20)23(31)29-10-8-15(13-29)22(30)27-17-4-5-19(24)16(11-17)12-25/h2-7,9,11,15,28H,8,10,13H2,1H3,(H,27,30)
InChIKeyGNNSIBPXIJIYIW-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.50
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide

N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 170425698) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID170425698
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(C#N)c3)C2)[nH]1
InChIInChI=1S/C23H20FN5O2/c1-14-18(3-2-9-26-14)20-6-7-21(28-20)23(31)29-10-8-15(13-29)22(30)27-17-4-5-19(24)16(11-17)12-25/h2-7,9,11,15,28H,8,10,13H2,1H3,(H,27,30)
InChIKeyGNNSIBPXIJIYIW-UHFFFAOYSA-N
XLogP3.50
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-cyano-4-fluorophenyl)-1-[5-(4,6-dimethylpyrimidin-5-yl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
CID 163269811
(3S)-1-[5-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrole-2-carbonyl]-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269658
(3S)-1-[2-(tert-butylamino)-2-oxoacetyl]-N-(3-cyano-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 118039071
(3S)-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269779
N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 126839287
(3S)-1-(5-pyrimidin-5-yl-1H-pyrrole-2-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269580
N-(3-cyano-4-fluorophenyl)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]pyrrolidine-3-carboxamide;hydrochloride
CID 155636998
(3S)-N-(3-cyano-4-fluorophenyl)-1-[3-[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]-2-oxopropanoyl]pyrrolidine-3-carboxamide;sulfane
CID 169428005
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide (CID 170425698) is N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide is Cc1ncccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(C#N)c3)C2)[nH]1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is GNNSIBPXIJIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-18(3-2-9-26-14)20-6-7-21(28-20)23(31)29-10-8-15(13-29)22(30)27-17-4-5-19(24)16(11-17)12-25/h2-7,9,11,15,28H,8,10,13H2,1H3,(H,27,30).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide?
N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 170425698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).