3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

C26H22N6O2 — CID 137430645

IUPAC3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1
InChIInChI=1S/C26H22N6O2/c1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20/h3-13H,14H2,1-2H3,(H2,27,32)(H,29,33)
InChIKeyILACZNOAQJKESH-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.48
Rot. Bonds5

About 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 137430645) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID137430645
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1
InChIInChI=1S/C26H22N6O2/c1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20/h3-13H,14H2,1-2H3,(H2,27,32)(H,29,33)
InChIKeyILACZNOAQJKESH-UHFFFAOYSA-N
XLogP4.48
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 137430645) is 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1.
What is the InChIKey of 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is ILACZNOAQJKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20/h3-13H,14H2,1-2H3,(H2,27,32)(H,29,33).
What are the key properties of 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 137430645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).