5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide

C26H26N4O3 — CID 42654320

IUPAC5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C26H26N4O3/c31-24-16-21(18-30(24)22-9-5-2-6-10-22)25(32)29-23(15-19-7-3-1-4-8-19)26(33)28-17-20-11-13-27-14-12-20/h1-14,21,23H,15-18H2,(H,28,33)(H,29,32)/t21?,23-/m1/s1
InChIKeyCYRLAGCATAUKCP-JFGZAKSSSA-N
MW442.52 g/mol
LogP2.48
Rot. Bonds8

About 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide

5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 42654320) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID42654320
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C26H26N4O3/c31-24-16-21(18-30(24)22-9-5-2-6-10-22)25(32)29-23(15-19-7-3-1-4-8-19)26(33)28-17-20-11-13-27-14-12-20/h1-14,21,23H,15-18H2,(H,28,33)(H,29,32)/t21?,23-/m1/s1
InChIKeyCYRLAGCATAUKCP-JFGZAKSSSA-N
XLogP2.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39350752
(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 39351792
5-oxo-N-[1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 74827580
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 4911015
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3S)-N-[(1R)-1,2-diphenylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 93017480
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 108803627
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide (CID 42654320) is 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is CYRLAGCATAUKCP-JFGZAKSSSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-24-16-21(18-30(24)22-9-5-2-6-10-22)25(32)29-23(15-19-7-3-1-4-8-19)26(33)28-17-20-11-13-27-14-12-20/h1-14,21,23H,15-18H2,(H,28,33)(H,29,32)/t21?,23-/m1/s1.
What are the key properties of 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42654320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).