N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C21H26N4O2 — CID 17437206

IUPACN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC(C)OC(C)C2)n(-c2ccccc2)c1C
InChIInChI=1S/C21H26N4O2/c1-14-11-24(12-15(2)27-14)13-20(26)23-21-19(10-22)16(3)17(4)25(21)18-8-6-5-7-9-18/h5-9,14-15H,11-13H2,1-4H3,(H,23,26)
InChIKeyLCFBWMKPEHLJIV-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.01
Rot. Bonds4

About N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 17437206) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID17437206
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC(C)OC(C)C2)n(-c2ccccc2)c1C
InChIInChI=1S/C21H26N4O2/c1-14-11-24(12-15(2)27-14)13-20(26)23-21-19(10-22)16(3)17(4)25(21)18-8-6-5-7-9-18/h5-9,14-15H,11-13H2,1-4H3,(H,23,26)
InChIKeyLCFBWMKPEHLJIV-UHFFFAOYSA-N
XLogP3.01
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.01
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-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46679583
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571446
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 9248919
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18093838
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
CID 46582903
N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 35800746
N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18131925
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 112807410
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
CID 112807412
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 55640162
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 16961708
[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16596629

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 17437206) is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is Cc1c(C#N)c(NC(=O)CN2CC(C)OC(C)C2)n(-c2ccccc2)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is LCFBWMKPEHLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-11-24(12-15(2)27-14)13-20(26)23-21-19(10-22)16(3)17(4)25(21)18-8-6-5-7-9-18/h5-9,14-15H,11-13H2,1-4H3,(H,23,26).
What are the key properties of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.01, 4 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-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 17437206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).