N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide

C17H21N5O2 — CID 10496450

IUPACN-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCN(C)CC2)nnc2ccc(C)cc12
InChIInChI=1S/C17H21N5O2/c1-11-4-5-14-13(10-11)15(18-12(2)23)16(20-19-14)17(24)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H,18,19,23)
InChIKeyUYWGXLIOXZIINI-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds2

About N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide

N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide (PubChem CID 10496450) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide
PubChem CID10496450
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCN(C)CC2)nnc2ccc(C)cc12
InChIInChI=1S/C17H21N5O2/c1-11-4-5-14-13(10-11)15(18-12(2)23)16(20-19-14)17(24)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H,18,19,23)
InChIKeyUYWGXLIOXZIINI-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
CID 10828011
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
2,9-dimethylbenzo[c]cinnoline
CID 14472808
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-(2,5-dimethylphenyl)-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069909

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide?
The IUPAC name of N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide (CID 10496450) is N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide.
What is the SMILES notation for N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide?
The canonical SMILES for N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCN(C)CC2)nnc2ccc(C)cc12.
What is the InChIKey of N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide?
The InChIKey is UYWGXLIOXZIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-4-5-14-13(10-11)15(18-12(2)23)16(20-19-14)17(24)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H,18,19,23).
What are the key properties of N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide?
N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide is sourced from PubChem (CID 10496450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).