N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide

C23H26N4O3 — CID 163373573

IUPACN-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)N1CC(C=O)CC1C#N
InChIInChI=1S/C23H26N4O3/c1-15(2)10-21(23(30)27-13-16(14-28)11-18(27)12-24)26-22(29)20-9-8-19(25-20)17-6-4-3-5-7-17/h3-9,14-16,18,21,25H,10-11,13H2,1-2H3,(H,26,29)
InChIKeyPCZIZMPMUAOQGF-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide

N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 163373573) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID163373573
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)N1CC(C=O)CC1C#N
InChIInChI=1S/C23H26N4O3/c1-15(2)10-21(23(30)27-13-16(14-28)11-18(27)12-24)26-22(29)20-9-8-19(25-20)17-6-4-3-5-7-17/h3-9,14-16,18,21,25H,10-11,13H2,1-2H3,(H,26,29)
InChIKeyPCZIZMPMUAOQGF-UHFFFAOYSA-N
XLogP2.77
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373492
2-benzyl-3-(2-cyano-4-formylpyrrolidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 168892849
N-[1-[4-[(3-chlorophenyl)carbamoyl]-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167075435
N-[1-[(2S)-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 57340460
N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167074912
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 167075625
N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-(difluoromethoxy)-N-methyl-1H-indole-2-carboxamide
CID 167075610
N-[(2S)-1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167203306
N-[1-[2-cyano-4-[(2-fluorophenyl)carbamoyl]-4-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 167075761
3-methyl-2-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119170464
N-[(2R)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 165044380
N-[(2S)-1-(2-cyanopyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-methoxybenzamide
CID 66777341

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide (CID 163373573) is N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide is CC(C)CC(NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)N1CC(C=O)CC1C#N.
What is the InChIKey of N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is PCZIZMPMUAOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(2)10-21(23(30)27-13-16(14-28)11-18(27)12-24)26-22(29)20-9-8-19(25-20)17-6-4-3-5-7-17/h3-9,14-16,18,21,25H,10-11,13H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide?
N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 163373573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).