3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide

C19H15FN4O — CID 809823

IUPAC3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCCc1ccccn1
InChIInChI=1S/C19H15FN4O/c20-15-4-6-17(7-5-15)24-12-9-14(13-21)18(24)19(25)23-11-8-16-3-1-2-10-22-16/h1-7,9-10,12H,8,11H2,(H,23,25)
InChIKeyAHHVAXRJTURLDA-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.86
Rot. Bonds5

About 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide

3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 809823) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
PubChem CID809823
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCCc1ccccn1
InChIInChI=1S/C19H15FN4O/c20-15-4-6-17(7-5-15)24-12-9-14(13-21)18(24)19(25)23-11-8-16-3-1-2-10-22-16/h1-7,9-10,12H,8,11H2,(H,23,25)
InChIKeyAHHVAXRJTURLDA-UHFFFAOYSA-N
XLogP2.86
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 3975419
3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 5135449
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
(3S)-2-(4-fluorophenyl)-5-N-(2-pyridin-2-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39898089
3-cyano-1-(2,5-difluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 3902580
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide (CID 809823) is 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide is N#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCCc1ccccn1.
What is the InChIKey of 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is AHHVAXRJTURLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-15-4-6-17(7-5-15)24-12-9-14(13-21)18(24)19(25)23-11-8-16-3-1-2-10-22-16/h1-7,9-10,12H,8,11H2,(H,23,25).
What are the key properties of 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 809823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).