3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide

C23H23N7O — CID 66800040

IUPAC3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCc3ccccn3)nc12
InChIInChI=1S/C23H23N7O/c1-15-5-4-6-16-13-17(14-29-23(31)20-21(24)27-12-11-26-20)22(30-19(15)16)28-10-8-18-7-2-3-9-25-18/h2-7,9,11-13H,8,10,14H2,1H3,(H2,24,27)(H,28,30)(H,29,31)
InChIKeyASJOFOVLBSBTJF-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.90
Rot. Bonds7

About 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 66800040) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID66800040
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCc3ccccn3)nc12
InChIInChI=1S/C23H23N7O/c1-15-5-4-6-16-13-17(14-29-23(31)20-21(24)27-12-11-26-20)22(30-19(15)16)28-10-8-18-7-2-3-9-25-18/h2-7,9,11-13H,8,10,14H2,1H3,(H2,24,27)(H,28,30)(H,29,31)
InChIKeyASJOFOVLBSBTJF-UHFFFAOYSA-N
XLogP2.90
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)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

Related Compounds

3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 66800205
3-amino-N-[[8-methyl-2-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 56945079
3-amino-N-[[8-methyl-2-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 66806590
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 56944985
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 66800040) is 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCc3ccccn3)nc12.
What is the InChIKey of 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is ASJOFOVLBSBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-5-4-6-16-13-17(14-29-23(31)20-21(24)27-12-11-26-20)22(30-19(15)16)28-10-8-18-7-2-3-9-25-18/h2-7,9,11-13H,8,10,14H2,1H3,(H2,24,27)(H,28,30)(H,29,31).
What are the key properties of 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).