(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C21H25N3O3 — CID 2293930

IUPAC(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-3-4-12-27-18-9-7-17(8-10-18)24-14-16(13-19(24)25)21(26)23-20-15(2)6-5-11-22-20/h5-11,16H,3-4,12-14H2,1-2H3,(H,22,23,26)/t16-/m0/s1
InChIKeyJYAMTPVSBDBNBU-INIZCTEOSA-N
MW367.45 g/mol
LogP3.56
Rot. Bonds7

About (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2293930) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2293930
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-3-4-12-27-18-9-7-17(8-10-18)24-14-16(13-19(24)25)21(26)23-20-15(2)6-5-11-22-20/h5-11,16H,3-4,12-14H2,1-2H3,(H,22,23,26)/t16-/m0/s1
InChIKeyJYAMTPVSBDBNBU-INIZCTEOSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685
(3S)-1-(4-bromo-3-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25348649
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7235791
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 16801441
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639
(3S)-N-(4-butoxyphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529153
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 2293930) is (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is CCCCOc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JYAMTPVSBDBNBU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-4-12-27-18-9-7-17(8-10-18)24-14-16(13-19(24)25)21(26)23-20-15(2)6-5-11-22-20/h5-11,16H,3-4,12-14H2,1-2H3,(H,22,23,26)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2293930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).