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

C25H20N4O2 — CID 3975419

IUPAC3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccccc2Oc2ccccc2)c1C(=O)NCCc1ccccn1
InChIInChI=1S/C25H20N4O2/c26-18-19-14-17-29(24(19)25(30)28-16-13-20-8-6-7-15-27-20)22-11-4-5-12-23(22)31-21-9-2-1-3-10-21/h1-12,14-15,17H,13,16H2,(H,28,30)
InChIKeyBPHMGAYKRXWBRB-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.51
Rot. Bonds7

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

3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 3975419) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
PubChem CID3975419
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccccc2Oc2ccccc2)c1C(=O)NCCc1ccccn1
InChIInChI=1S/C25H20N4O2/c26-18-19-14-17-29(24(19)25(30)28-16-13-20-8-6-7-15-27-20)22-11-4-5-12-23(22)31-21-9-2-1-3-10-21/h1-12,14-15,17H,13,16H2,(H,28,30)
InChIKeyBPHMGAYKRXWBRB-UHFFFAOYSA-N
XLogP4.51
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-1-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 809823
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-4-phenoxybenzamide
CID 2549071
3-cyano-N-(3-methylbutyl)-1-(2-phenylphenyl)pyrrole-2-carboxamide
CID 5145646
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
CID 7124123
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
8-methoxy-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471700
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
2-oxo-1-(4-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 42853656

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide (CID 3975419) is 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide is N#Cc1ccn(-c2ccccc2Oc2ccccc2)c1C(=O)NCCc1ccccn1.
What is the InChIKey of 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is BPHMGAYKRXWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-18-19-14-17-29(24(19)25(30)28-16-13-20-8-6-7-15-27-20)22-11-4-5-12-23(22)31-21-9-2-1-3-10-21/h1-12,14-15,17H,13,16H2,(H,28,30).
What are the key properties of 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide?
3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 3975419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).