5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C21H24N4O3 — CID 17119826

IUPAC5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)CC1=O
InChIInChI=1S/C21H24N4O3/c1-14(2)25-13-17(11-19(25)26)21(28)24-18-5-3-16(4-6-18)20(27)23-12-15-7-9-22-10-8-15/h3-10,14,17H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHQOFRKAYTRKUHH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.21
Rot. Bonds6

About 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17119826) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17119826
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)CC1=O
InChIInChI=1S/C21H24N4O3/c1-14(2)25-13-17(11-19(25)26)21(28)24-18-5-3-16(4-6-18)20(27)23-12-15-7-9-22-10-8-15/h3-10,14,17H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHQOFRKAYTRKUHH-UHFFFAOYSA-N
XLogP2.21
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119734
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119886
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119912
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
[3-[[3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929042
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 86929676
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17119826) is 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HQOFRKAYTRKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)25-13-17(11-19(25)26)21(28)24-18-5-3-16(4-6-18)20(27)23-12-15-7-9-22-10-8-15/h3-10,14,17H,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17119826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).