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

C25H24N4O3 — CID 39351792

IUPAC(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H24N4O3/c30-23-15-19(17-29(23)21-11-5-2-6-12-21)24(31)28-22(14-18-8-3-1-4-9-18)25(32)27-20-10-7-13-26-16-20/h1-13,16,19,22H,14-15,17H2,(H,27,32)(H,28,31)/t19-,22+/m0/s1
InChIKeyYCTZEKFNDIUCCK-SIKLNZKXSA-N
MW428.49 g/mol
LogP2.80
Rot. Bonds7

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

(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39351792) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID39351792
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H24N4O3/c30-23-15-19(17-29(23)21-11-5-2-6-12-21)24(31)28-22(14-18-8-3-1-4-9-18)25(32)27-20-10-7-13-26-16-20/h1-13,16,19,22H,14-15,17H2,(H,27,32)(H,28,31)/t19-,22+/m0/s1
InChIKeyYCTZEKFNDIUCCK-SIKLNZKXSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-[1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 74827580
5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 42654320
(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39350752
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3S)-N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39348185
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118634
2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 4911015
(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)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide (CID 39351792) is (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YCTZEKFNDIUCCK-SIKLNZKXSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23-15-19(17-29(23)21-11-5-2-6-12-21)24(31)28-22(14-18-8-3-1-4-9-18)25(32)27-20-10-7-13-26-16-20/h1-13,16,19,22H,14-15,17H2,(H,27,32)(H,28,31)/t19-,22+/m0/s1.
What are the key properties of (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39351792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).