5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide

C24H32N6O2 — CID 150633465

IUPAC5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide
SMILESCCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(OC)c3cccnc23)cn1
InChIInChI=1S/C24H32N6O2/c1-5-30(6-2)14-8-9-17(3)28-22-16-26-20(15-27-22)24(31)29-19-11-12-21(32-4)18-10-7-13-25-23(18)19/h7,10-13,15-17H,5-6,8-9,14H2,1-4H3,(H,27,28)(H,29,31)
InChIKeyIYJQKAWJGMTUMA-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.21
Rot. Bonds11

About 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide

5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide (PubChem CID 150633465) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide
PubChem CID150633465
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide
SMILESCCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(OC)c3cccnc23)cn1
InChIInChI=1S/C24H32N6O2/c1-5-30(6-2)14-8-9-17(3)28-22-16-26-20(15-27-22)24(31)29-19-11-12-21(32-4)18-10-7-13-25-23(18)19/h7,10-13,15-17H,5-6,8-9,14H2,1-4H3,(H,27,28)(H,29,31)
InChIKeyIYJQKAWJGMTUMA-UHFFFAOYSA-N
XLogP4.21
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide (CID 150633465) is 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide is CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(OC)c3cccnc23)cn1.
What is the InChIKey of 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide?
The InChIKey is IYJQKAWJGMTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-5-30(6-2)14-8-9-17(3)28-22-16-26-20(15-27-22)24(31)29-19-11-12-21(32-4)18-10-7-13-25-23(18)19/h7,10-13,15-17H,5-6,8-9,14H2,1-4H3,(H,27,28)(H,29,31).
What are the key properties of 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide?
5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(diethylamino)pentan-2-ylamino]-N-(5-methoxyquinolin-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 150633465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).