N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide

C28H29N5O3 — CID 167075625

IUPACN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)N3CC(C(=O)Nc4ccccc4)CC3C#N)cc12
InChIInChI=1S/C28H29N5O3/c1-17-6-5-9-23-22(17)14-24(31-23)27(35)32-25(12-18-10-11-18)28(36)33-16-19(13-21(33)15-29)26(34)30-20-7-3-2-4-8-20/h2-9,14,18-19,21,25,31H,10-13,16H2,1H3,(H,30,34)(H,32,35)
InChIKeyRHSFARKAUJRJIY-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.75
Rot. Bonds7

About N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide

N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 167075625) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
PubChem CID167075625
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)N3CC(C(=O)Nc4ccccc4)CC3C#N)cc12
InChIInChI=1S/C28H29N5O3/c1-17-6-5-9-23-22(17)14-24(31-23)27(35)32-25(12-18-10-11-18)28(36)33-16-19(13-21(33)15-29)26(34)30-20-7-3-2-4-8-20/h2-9,14,18-19,21,25,31H,10-13,16H2,1H3,(H,30,34)(H,32,35)
InChIKeyRHSFARKAUJRJIY-UHFFFAOYSA-N
XLogP3.75
TPSA118.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(3-chlorophenyl)carbamoyl]-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167075435
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-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075428
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373492
5-cyano-1-[2-[1-(4,6-difluoro-1H-indol-2-yl)ethenyl-methylamino]-3-phenylpropanoyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075500
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-[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
5-cyano-1-[2-[1-(4,6-dichloro-1H-indol-2-yl)ethenyl-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075309
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
N-[(2R)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165414245
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
CID 168892814
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide (CID 167075625) is N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide is Cc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)N3CC(C(=O)Nc4ccccc4)CC3C#N)cc12.
What is the InChIKey of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The InChIKey is RHSFARKAUJRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-17-6-5-9-23-22(17)14-24(31-23)27(35)32-25(12-18-10-11-18)28(36)33-16-19(13-21(33)15-29)26(34)30-20-7-3-2-4-8-20/h2-9,14,18-19,21,25,31H,10-13,16H2,1H3,(H,30,34)(H,32,35).
What are the key properties of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167075625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).