(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

C17H23N3O2 — CID 95710712

IUPAC(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)8-19-9-14(7-16(19)21)17(22)20-10-15(11-20)13-3-5-18-6-4-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyGAZYOEHGLIAYGZ-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.51
Rot. Bonds4

About (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 95710712) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
PubChem CID95710712
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)8-19-9-14(7-16(19)21)17(22)20-10-15(11-20)13-3-5-18-6-4-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyGAZYOEHGLIAYGZ-AWEZNQCLSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 155494686
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 46597771
4-(3-ethynyl-3-fluoroazetidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 136559360
(4S)-1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 94068955
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (CID 95710712) is (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is CC(C)CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O.
What is the InChIKey of (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GAZYOEHGLIAYGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)8-19-9-14(7-16(19)21)17(22)20-10-15(11-20)13-3-5-18-6-4-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).