6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide

C23H26ClN5O2 — CID 71598484

IUPAC6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(Nc3cccc(OCCCN(C)C)c3)c(C(N)=O)n2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-15-8-9-16(12-19(15)24)20-14-26-23(21(28-20)22(25)30)27-17-6-4-7-18(13-17)31-11-5-10-29(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H2,25,30)(H,26,27)
InChIKeyUXCZGENSIOIHKB-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.28
Rot. Bonds9

About 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide

6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide (PubChem CID 71598484) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide
PubChem CID71598484
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(Nc3cccc(OCCCN(C)C)c3)c(C(N)=O)n2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-15-8-9-16(12-19(15)24)20-14-26-23(21(28-20)22(25)30)27-17-6-4-7-18(13-17)31-11-5-10-29(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H2,25,30)(H,26,27)
InChIKeyUXCZGENSIOIHKB-UHFFFAOYSA-N
XLogP4.28
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide 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

N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide
CID 176780901
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
N-[2-[[5-chloro-2-[3-(2-hydroxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236344
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
3-[3-[[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]amino]phenoxy]-N-methoxy-N-methylpropanamide
CID 118726087
5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
CID 133294137
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide (CID 71598484) is 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide is Cc1ccc(-c2cnc(Nc3cccc(OCCCN(C)C)c3)c(C(N)=O)n2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide?
The InChIKey is UXCZGENSIOIHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-15-8-9-16(12-19(15)24)20-14-26-23(21(28-20)22(25)30)27-17-6-4-7-18(13-17)31-11-5-10-29(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H2,25,30)(H,26,27).
What are the key properties of 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide?
6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 71598484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).