N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide

C25H22FN3O — CID 11956666

IUPACN-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccccn2)c(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O/c1-16(2)23-22(25(30)28-19-13-11-18(26)12-14-19)21(17-8-4-3-5-9-17)24(29-23)20-10-6-7-15-27-20/h3-16,29H,1-2H3,(H,28,30)
InChIKeyNKCGPTSZHQIYLJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP6.26
Rot. Bonds5

About N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide

N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 11956666) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide
PubChem CID11956666
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccccn2)c(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O/c1-16(2)23-22(25(30)28-19-13-11-18(26)12-14-19)21(17-8-4-3-5-9-17)24(29-23)20-10-6-7-15-27-20/h3-16,29H,1-2H3,(H,28,30)
InChIKeyNKCGPTSZHQIYLJ-UHFFFAOYSA-N
XLogP6.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 67810606
5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 154634111
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868
5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 10493507
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956561
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 58026319

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide (CID 11956666) is N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide is CC(C)c1[nH]c(-c2ccccn2)c(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is NKCGPTSZHQIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-16(2)23-22(25(30)28-19-13-11-18(26)12-14-19)21(17-8-4-3-5-9-17)24(29-23)20-10-6-7-15-27-20/h3-16,29H,1-2H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide?
N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11956666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).