N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide

C26H26N4O3 — CID 163668569

IUPACN-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide
SMILESN#C[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1)CC1CCNC1=O
InChIInChI=1S/C26H26N4O3/c27-16-18(12-20-10-11-28-25(20)32)14-24(31)22(13-17-6-2-1-3-7-17)30-26(33)23-15-19-8-4-5-9-21(19)29-23/h1-9,15,18,20,22,29H,10-14H2,(H,28,32)(H,30,33)/t18-,20?,22+/m1/s1
InChIKeyLPIIRDXIJWXNOL-PJDJYQKSSA-N
MW442.52 g/mol
LogP3.13
Rot. Bonds9

About N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide

N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide (PubChem CID 163668569) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide
PubChem CID163668569
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide
SMILESN#C[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1)CC1CCNC1=O
InChIInChI=1S/C26H26N4O3/c27-16-18(12-20-10-11-28-25(20)32)14-24(31)22(13-17-6-2-1-3-7-17)30-26(33)23-15-19-8-4-5-9-21(19)29-23/h1-9,15,18,20,22,29H,10-14H2,(H,28,32)(H,30,33)/t18-,20?,22+/m1/s1
InChIKeyLPIIRDXIJWXNOL-PJDJYQKSSA-N
XLogP3.13
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 166893372
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-(4,4-difluorocyclohexyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166893379
N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;ethane
CID 166156990
6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 170263274
N-[(1S)-2-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
CID 166156911
N-[(2S)-1-[[(2R)-2-cyano-1-(2-oxopiperidin-3-yl)propan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166893231
N-[(2S,5R)-5-cyano-1-cyclopropyl-3-oxo-6-[(3R)-2-oxopyrrolidin-3-yl]hexan-2-yl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
CID 166749628
6-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163283339
N-[2-oxo-2-[[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 163226879
N-[(2S)-1-[[4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166684825
(2S)-2-[[(2S)-3-[(1S)-cyclohex-3-en-1-yl]-2-(1H-indole-2-carbonylamino)propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanethioic S-acid
CID 172914161
5-fluoro-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 166170153

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide (CID 163668569) is N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide is N#C[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1)CC1CCNC1=O.
What is the InChIKey of N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LPIIRDXIJWXNOL-PJDJYQKSSA-N. The full InChI is InChI=1S/C26H26N4O3/c27-16-18(12-20-10-11-28-25(20)32)14-24(31)22(13-17-6-2-1-3-7-17)30-26(33)23-15-19-8-4-5-9-21(19)29-23/h1-9,15,18,20,22,29H,10-14H2,(H,28,32)(H,30,33)/t18-,20?,22+/m1/s1.
What are the key properties of N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide?
N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5R)-5-cyano-3-oxo-6-(2-oxopyrrolidin-3-yl)-1-phenylhexan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 163668569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).