4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

C25H29N3O3 — CID 10251515

IUPAC4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
SMILESO=C(c1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C25H29N3O3/c29-23(15-6-11-19-9-2-1-3-10-19)27-17-8-14-22(27)25(31)28-18-7-13-21(28)24(30)20-12-4-5-16-26-20/h1-5,9-10,12,16,21-22H,6-8,11,13-15,17-18H2/t21-,22-/m0/s1
InChIKeyOCHZNYFFBSVCIJ-VXKWHMMOSA-N
MW419.53 g/mol
LogP3.27
Rot. Bonds7

About 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 10251515) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
PubChem CID10251515
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
SMILESO=C(c1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C25H29N3O3/c29-23(15-6-11-19-9-2-1-3-10-19)27-17-8-14-22(27)25(31)28-18-7-13-21(28)24(30)20-12-4-5-16-26-20/h1-5,9-10,12,16,21-22H,6-8,11,13-15,17-18H2/t21-,22-/m0/s1
InChIKeyOCHZNYFFBSVCIJ-VXKWHMMOSA-N
XLogP3.27
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoylpyridine
CID 7038
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Bupicomide
CID 31447
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Piberaline
CID 65975
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one (CID 10251515) is 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one is O=C(c1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is OCHZNYFFBSVCIJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-23(15-6-11-19-9-2-1-3-10-19)27-17-8-14-22(27)25(31)28-18-7-13-21(28)24(30)20-12-4-5-16-26-20/h1-5,9-10,12,16,21-22H,6-8,11,13-15,17-18H2/t21-,22-/m0/s1.
What are the key properties of 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one?
4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 419.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(2S)-2-[(2S)-2-(pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 10251515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).