3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide

C28H26N8O — CID 66800269

IUPAC3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(Cc3cccnc3)Cc3cccnc3)nc12
InChIInChI=1S/C28H26N8O/c1-19-5-2-8-22-13-23(16-34-28(37)25-26(29)33-12-11-32-25)27(35-24(19)22)36(17-20-6-3-9-30-14-20)18-21-7-4-10-31-15-21/h2-15H,16-18H2,1H3,(H2,29,33)(H,34,37)
InChIKeyIBKJDHZVJQUHGZ-UHFFFAOYSA-N
MW490.57 g/mol
LogP3.84
Rot. Bonds8

About 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 66800269) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID66800269
Molecular FormulaC28H26N8O
Molecular Weight490.57 g/mol
Exact Mass490.22
IUPAC Name3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(Cc3cccnc3)Cc3cccnc3)nc12
InChIInChI=1S/C28H26N8O/c1-19-5-2-8-22-13-23(16-34-28(37)25-26(29)33-12-11-32-25)27(35-24(19)22)36(17-20-6-3-9-30-14-20)18-21-7-4-10-31-15-21/h2-15H,16-18H2,1H3,(H2,29,33)(H,34,37)
InChIKeyIBKJDHZVJQUHGZ-UHFFFAOYSA-N
XLogP3.84
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 66800269) is 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(N(Cc3cccnc3)Cc3cccnc3)nc12.
What is the InChIKey of 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is IBKJDHZVJQUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-19-5-2-8-22-13-23(16-34-28(37)25-26(29)33-12-11-32-25)27(35-24(19)22)36(17-20-6-3-9-30-14-20)18-21-7-4-10-31-15-21/h2-15H,16-18H2,1H3,(H2,29,33)(H,34,37).
What are the key properties of 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[bis(pyridin-3-ylmethyl)amino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66800269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).