(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

C21H23N3O3 — CID 95719078

IUPAC(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O
InChIInChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-16(19)11-23-12-17(10-20(23)25)21(26)24-13-18(14-24)15-6-8-22-9-7-15/h2-9,17-18H,10-14H2,1H3/t17-/m0/s1
InChIKeyDHDGXNWHDHGXOJ-KRWDZBQOSA-N
MW365.43 g/mol
LogP2.06
Rot. Bonds5

About (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 95719078) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
PubChem CID95719078
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O
InChIInChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-16(19)11-23-12-17(10-20(23)25)21(26)24-13-18(14-24)15-6-8-22-9-7-15/h2-9,17-18H,10-14H2,1H3/t17-/m0/s1
InChIKeyDHDGXNWHDHGXOJ-KRWDZBQOSA-N
XLogP2.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2-methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109903
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 113184102
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
(3S)-1-[(2-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39337419
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39310520
N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42653435

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (CID 95719078) is (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is COc1ccccc1CN1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC1=O.
What is the InChIKey of (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is DHDGXNWHDHGXOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-16(19)11-23-12-17(10-20(23)25)21(26)24-13-18(14-24)15-6-8-22-9-7-15/h2-9,17-18H,10-14H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95719078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).