1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

C20H22FN3O2 — CID 110246623

IUPAC1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C(=O)N1CCC(C(=O)Nc2ccccn2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-20(2,15-6-8-16(21)9-7-15)19(26)24-12-10-14(13-24)18(25)23-17-5-3-4-11-22-17/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,23,25)
InChIKeyHRPMZOWUWUTQRZ-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110246623) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID110246623
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C(=O)N1CCC(C(=O)Nc2ccccn2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-20(2,15-6-8-16(21)9-7-15)19(26)24-12-10-14(13-24)18(25)23-17-5-3-4-11-22-17/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,23,25)
InChIKeyHRPMZOWUWUTQRZ-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
N-pyridin-2-yl-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110246630
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633265
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 110246623) is 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is CC(C)(C(=O)N1CCC(C(=O)Nc2ccccn2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HRPMZOWUWUTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-20(2,15-6-8-16(21)9-7-15)19(26)24-12-10-14(13-24)18(25)23-17-5-3-4-11-22-17/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,23,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110246623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).