N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C24H27N5O — CID 112807410

IUPACN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC2c2cccn2C)n(-c2ccccc2)c1C
InChIInChI=1S/C24H27N5O/c1-17-18(2)29(19-9-5-4-6-10-19)24(20(17)15-25)26-23(30)16-28-14-8-12-22(28)21-11-7-13-27(21)3/h4-7,9-11,13,22H,8,12,14,16H2,1-3H3,(H,26,30)
InChIKeyJWDGYRGIIOOUSH-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.08
Rot. Bonds5

About N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 112807410) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID112807410
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC2c2cccn2C)n(-c2ccccc2)c1C
InChIInChI=1S/C24H27N5O/c1-17-18(2)29(19-9-5-4-6-10-19)24(20(17)15-25)26-23(30)16-28-14-8-12-22(28)21-11-7-13-27(21)3/h4-7,9-11,13,22H,8,12,14,16H2,1-3H3,(H,26,30)
InChIKeyJWDGYRGIIOOUSH-UHFFFAOYSA-N
XLogP4.08
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 25413973
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
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CID 24506657
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
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CID 18131925
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 16961708
(3R)-2-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 25336149

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 112807410) is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is Cc1c(C#N)c(NC(=O)CN2CCCC2c2cccn2C)n(-c2ccccc2)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is JWDGYRGIIOOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-18(2)29(19-9-5-4-6-10-19)24(20(17)15-25)26-23(30)16-28-14-8-12-22(28)21-11-7-13-27(21)3/h4-7,9-11,13,22H,8,12,14,16H2,1-3H3,(H,26,30).
What are the key properties of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 112807410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).