5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide

C23H20N6O2 — CID 58548613

IUPAC5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2nccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C23H20N6O2/c24-22(30)19-7-5-15(13-27-19)21-23(26-10-9-25-21)31-17-11-16(12-17)28-20-8-6-14-3-1-2-4-18(14)29-20/h1-10,13,16-17H,11-12H2,(H2,24,30)(H,28,29)
InChIKeyIXRPWTJAQYOJEZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.21
Rot. Bonds6

About 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide

5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 58548613) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide
PubChem CID58548613
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2nccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C23H20N6O2/c24-22(30)19-7-5-15(13-27-19)21-23(26-10-9-25-21)31-17-11-16(12-17)28-20-8-6-14-3-1-2-4-18(14)29-20/h1-10,13,16-17H,11-12H2,(H2,24,30)(H,28,29)
InChIKeyIXRPWTJAQYOJEZ-UHFFFAOYSA-N
XLogP3.21
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide (CID 58548613) is 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2nccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1.
What is the InChIKey of 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is IXRPWTJAQYOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c24-22(30)19-7-5-15(13-27-19)21-23(26-10-9-25-21)31-17-11-16(12-17)28-20-8-6-14-3-1-2-4-18(14)29-20/h1-10,13,16-17H,11-12H2,(H2,24,30)(H,28,29).
What are the key properties of 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide?
5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(quinolin-2-ylamino)cyclobutyl]oxypyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58548613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).