N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

C26H33N5O2 — CID 16596813

IUPACN-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1c(C#N)c(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)n(C2CCCC2)c1C
InChIInChI=1S/C26H33N5O2/c1-18-19(2)31(22-10-6-7-11-22)25(23(18)16-27)29-24(32)17-30-14-12-21(13-15-30)28-26(33)20-8-4-3-5-9-20/h3-5,8-9,21-22H,6-7,10-15,17H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyAZIXKTNJMGQZGS-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.92
Rot. Bonds6

About N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 16596813) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID16596813
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1c(C#N)c(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)n(C2CCCC2)c1C
InChIInChI=1S/C26H33N5O2/c1-18-19(2)31(22-10-6-7-11-22)25(23(18)16-27)29-24(32)17-30-14-12-21(13-15-30)28-26(33)20-8-4-3-5-9-20/h3-5,8-9,21-22H,6-7,10-15,17H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyAZIXKTNJMGQZGS-UHFFFAOYSA-N
XLogP3.92
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

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2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
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2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 16599323
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 9432348
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24506657
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 29435441
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34903440
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 37403534
4-O-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42478964
N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580800
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 16596813) is N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is Cc1c(C#N)c(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)n(C2CCCC2)c1C.
What is the InChIKey of N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is AZIXKTNJMGQZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18-19(2)31(22-10-6-7-11-22)25(23(18)16-27)29-24(32)17-30-14-12-21(13-15-30)28-26(33)20-8-4-3-5-9-20/h3-5,8-9,21-22H,6-7,10-15,17H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 16596813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).