3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C23H26N4O2 — CID 51265428

IUPAC3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C23H26N4O2/c28-22-17-25-27(20-11-5-4-10-19(20)22)15-12-23(29)24-16-21(26-13-6-7-14-26)18-8-2-1-3-9-18/h1-5,8-11,17,21H,6-7,12-16H2,(H,24,29)
InChIKeyNEMCENNZLSXKBV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 51265428) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID51265428
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C23H26N4O2/c28-22-17-25-27(20-11-5-4-10-19(20)22)15-12-23(29)24-16-21(26-13-6-7-14-26)18-8-2-1-3-9-18/h1-5,8-11,17,21H,6-7,12-16H2,(H,24,29)
InChIKeyNEMCENNZLSXKBV-UHFFFAOYSA-N
XLogP2.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
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CID 47123641
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
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3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 99972818
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 51265428) is 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is NEMCENNZLSXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22-17-25-27(20-11-5-4-10-19(20)22)15-12-23(29)24-16-21(26-13-6-7-14-26)18-8-2-1-3-9-18/h1-5,8-11,17,21H,6-7,12-16H2,(H,24,29).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 51265428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).