(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide

C18H25N3O — CID 97437690

IUPAC(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCC[C@H]1C=CCN1C(=O)Nc1cccc(N2CCCC2)c1C
InChIInChI=1S/C18H25N3O/c1-3-15-8-7-13-21(15)18(22)19-16-9-6-10-17(14(16)2)20-11-4-5-12-20/h6-10,15H,3-5,11-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyWNBZDDYVZMEACJ-HNNXBMFYSA-N
MW299.42 g/mol
LogP3.78
Rot. Bonds3

About (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide

(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 97437690) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID97437690
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCC[C@H]1C=CCN1C(=O)Nc1cccc(N2CCCC2)c1C
InChIInChI=1S/C18H25N3O/c1-3-15-8-7-13-21(15)18(22)19-16-9-6-10-17(14(16)2)20-11-4-5-12-20/h6-10,15H,3-5,11-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyWNBZDDYVZMEACJ-HNNXBMFYSA-N
XLogP3.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
CID 125166113
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
CID 97444484
(2S)-N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
CID 97444443
(2R)-N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
CID 97444442
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72928653
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide
CID 24785267
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
1-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 97437150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 97437690) is (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide is CC[C@H]1C=CCN1C(=O)Nc1cccc(N2CCCC2)c1C.
What is the InChIKey of (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is WNBZDDYVZMEACJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-15-8-7-13-21(15)18(22)19-16-9-6-10-17(14(16)2)20-11-4-5-12-20/h6-10,15H,3-5,11-13H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 97437690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).