N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide

C23H30N4O — CID 9275141

IUPACN-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)C2CCCCC2)n(Cc2ccccc2)c1C
InChIInChI=1S/C23H30N4O/c1-17-18(2)27(15-19-10-6-4-7-11-19)23(21(17)14-24)25-22(28)16-26(3)20-12-8-5-9-13-20/h4,6-7,10-11,20H,5,8-9,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyMSTRPBCPHGOHDH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.23
Rot. Bonds6

About N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide

N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 9275141) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID9275141
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)C2CCCCC2)n(Cc2ccccc2)c1C
InChIInChI=1S/C23H30N4O/c1-17-18(2)27(15-19-10-6-4-7-11-19)23(21(17)14-24)25-22(28)16-26(3)20-12-8-5-9-13-20/h4,6-7,10-11,20H,5,8-9,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyMSTRPBCPHGOHDH-UHFFFAOYSA-N
XLogP4.23
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(N-methylanilino)acetamide
CID 9250327
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CID 112798408
2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
CID 18286150
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-morpholin-4-ylacetamide
CID 9275787
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 26303857
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 52727964
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248261
ethyl 4-[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 9431071
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135703503
2-benzylsulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide
CID 9459463
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 25308652

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide (CID 9275141) is N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)C2CCCCC2)n(Cc2ccccc2)c1C.
What is the InChIKey of N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is MSTRPBCPHGOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-18(2)27(15-19-10-6-4-7-11-19)23(21(17)14-24)25-22(28)16-26(3)20-12-8-5-9-13-20/h4,6-7,10-11,20H,5,8-9,12-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide?
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 378.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 9275141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).