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

C22H24N4O2 — CID 112807412

IUPACN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1
InChIInChI=1S/C22H24N4O2/c1-14-10-11-20(28-14)16(3)24-13-21(27)25-22-19(12-23)15(2)17(4)26(22)18-8-6-5-7-9-18/h5-11,16,24H,13H2,1-4H3,(H,25,27)
InChIKeyNWAVHDWZPSMYOL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.16
Rot. Bonds6

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

N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (PubChem CID 112807412) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
PubChem CID112807412
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1
InChIInChI=1S/C22H24N4O2/c1-14-10-11-20(28-14)16(3)24-13-21(27)25-22-19(12-23)15(2)17(4)26(22)18-8-6-5-7-9-18/h5-11,16,24H,13H2,1-4H3,(H,25,27)
InChIKeyNWAVHDWZPSMYOL-UHFFFAOYSA-N
XLogP4.16
TPSA82.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (CID 112807412) is N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide is Cc1ccc(C(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1.
What is the InChIKey of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The InChIKey is NWAVHDWZPSMYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-10-11-20(28-14)16(3)24-13-21(27)25-22-19(12-23)15(2)17(4)26(22)18-8-6-5-7-9-18/h5-11,16,24H,13H2,1-4H3,(H,25,27).
What are the key properties of N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 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-[1-(5-methylfuran-2-yl)ethylamino]acetamide is sourced from PubChem (CID 112807412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).