N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide

C21H22N4O2 — CID 47063880

IUPACN-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H22N4O2/c1-15-6-4-9-18(20(15)21(27)25-10-2-3-11-25)23-14-19(26)24-17-8-5-7-16(12-17)13-22/h4-9,12,23H,2-3,10-11,14H2,1H3,(H,24,26)
InChIKeyXDOCNMQWOQZLIY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.15
Rot. Bonds5

About N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 47063880) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID47063880
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H22N4O2/c1-15-6-4-9-18(20(15)21(27)25-10-2-3-11-25)23-14-19(26)24-17-8-5-7-16(12-17)13-22/h4-9,12,23H,2-3,10-11,14H2,1H3,(H,24,26)
InChIKeyXDOCNMQWOQZLIY-UHFFFAOYSA-N
XLogP3.15
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47063875
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
[2-(3-cyanoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7915899
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 47063880) is N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide is Cc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is XDOCNMQWOQZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-4-9-18(20(15)21(27)25-10-2-3-11-25)23-14-19(26)24-17-8-5-7-16(12-17)13-22/h4-9,12,23H,2-3,10-11,14H2,1H3,(H,24,26).
What are the key properties of N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 47063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).