(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H23N3O2 — CID 29183622

IUPAC(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1C[C@@H](C(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C20H23N3O2/c1-3-16-8-4-6-14(2)19(16)23-13-17(10-18(23)24)20(25)22-12-15-7-5-9-21-11-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUKFUITLPLNXJQO-KRWDZBQOSA-N
MW337.42 g/mol
LogP2.62
Rot. Bonds5

About (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 29183622) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID29183622
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1C[C@@H](C(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C20H23N3O2/c1-3-16-8-4-6-14(2)19(16)23-13-17(10-18(23)24)20(25)22-12-15-7-5-9-21-11-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUKFUITLPLNXJQO-KRWDZBQOSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108767721
1-(2-ethyl-6-methylphenyl)-5-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108771124
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28893428
1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
N-benzyl-1-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186967
1-(2-ethyl-6-methylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122570358
5-oxo-N-(pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188698
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 29183622) is (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCc1cccc(C)c1N1C[C@@H](C(=O)NCc2cccnc2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is UKFUITLPLNXJQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-16-8-4-6-14(2)19(16)23-13-17(10-18(23)24)20(25)22-12-15-7-5-9-21-11-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 29183622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).