N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide

C35H37N5O3 — CID 167075905

IUPACN-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(C#N)N(C(=O)C(CC(C)C)N(C)C(=O)c2[nH]c3ccccc3c2-c2ccccc2)C1
InChIInChI=1S/C35H37N5O3/c1-22(2)18-30(34(42)40-21-25(19-26(40)20-36)33(41)38-28-16-10-8-12-23(28)3)39(4)35(43)32-31(24-13-6-5-7-14-24)27-15-9-11-17-29(27)37-32/h5-17,22,25-26,30,37H,18-19,21H2,1-4H3,(H,38,41)
InChIKeyUVWUXQMGPXFPIF-UHFFFAOYSA-N
MW575.71 g/mol
LogP6.01
Rot. Bonds8

About N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide

N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 167075905) has the molecular formula C35H37N5O3 and a molecular weight of 575.71 g/mol. Its IUPAC name is N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide
PubChem CID167075905
Molecular FormulaC35H37N5O3
Molecular Weight575.71 g/mol
Exact Mass575.29
IUPAC NameN-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(C#N)N(C(=O)C(CC(C)C)N(C)C(=O)c2[nH]c3ccccc3c2-c2ccccc2)C1
InChIInChI=1S/C35H37N5O3/c1-22(2)18-30(34(42)40-21-25(19-26(40)20-36)33(41)38-28-16-10-8-12-23(28)3)39(4)35(43)32-31(24-13-6-5-7-14-24)27-15-9-11-17-29(27)37-32/h5-17,22,25-26,30,37H,18-19,21H2,1-4H3,(H,38,41)
InChIKeyUVWUXQMGPXFPIF-UHFFFAOYSA-N
XLogP6.01
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

1-[2-[(2-chloro-5-phenylbenzoyl)-methylamino]acetyl]-5-cyano-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 167074985
N-[(2S)-1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 167074952
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide
CID 167074876
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
5-cyano-1-[2-(dimethylamino)acetyl]-N-(2-methylphenyl)pyrrolidine-3-carboxamide;3-(methylamino)cyclopentan-1-ol;2-methylpropane;propanedial
CID 168880620
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 163372716
1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 163373115
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075428
5-cyano-1-[2-[1-(4,6-difluoro-1H-indol-2-yl)ethenyl-methylamino]-3-phenylpropanoyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075500
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide
CID 163373009
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-5-phenyl-1H-indole-2-carboxamide
CID 165414277

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide (CID 167075905) is N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide is Cc1ccccc1NC(=O)C1CC(C#N)N(C(=O)C(CC(C)C)N(C)C(=O)c2[nH]c3ccccc3c2-c2ccccc2)C1.
What is the InChIKey of N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is UVWUXQMGPXFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O3/c1-22(2)18-30(34(42)40-21-25(19-26(40)20-36)33(41)38-28-16-10-8-12-23(28)3)39(4)35(43)32-31(24-13-6-5-7-14-24)27-15-9-11-17-29(27)37-32/h5-17,22,25-26,30,37H,18-19,21H2,1-4H3,(H,38,41).
What are the key properties of N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide?
N-[1-[2-cyano-4-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 575.71 g/mol, XLogP of 6.01, 8 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-[(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167075905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).