3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

C26H28N8O2 — CID 66802974

IUPAC3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)c3ccccn3)nc12
InChIInChI=1S/C26H28N8O2/c1-17-7-6-8-18-15-19(16-31-25(35)22-23(27)30-12-11-29-22)24(32-21(17)18)33(2)13-14-34(3)26(36)20-9-4-5-10-28-20/h4-12,15H,13-14,16H2,1-3H3,(H2,27,30)(H,31,35)
InChIKeyBCWGJFJLXOWGCJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.45
Rot. Bonds8

About 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 66802974) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID66802974
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)c3ccccn3)nc12
InChIInChI=1S/C26H28N8O2/c1-17-7-6-8-18-15-19(16-31-25(35)22-23(27)30-12-11-29-22)24(32-21(17)18)33(2)13-14-34(3)26(36)20-9-4-5-10-28-20/h4-12,15H,13-14,16H2,1-3H3,(H2,27,30)(H,31,35)
InChIKeyBCWGJFJLXOWGCJ-UHFFFAOYSA-N
XLogP2.45
TPSA130.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 66802974) is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)c3ccccn3)nc12.
What is the InChIKey of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is BCWGJFJLXOWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-17-7-6-8-18-15-19(16-31-25(35)22-23(27)30-12-11-29-22)24(32-21(17)18)33(2)13-14-34(3)26(36)20-9-4-5-10-28-20/h4-12,15H,13-14,16H2,1-3H3,(H2,27,30)(H,31,35).
What are the key properties of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66802974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).