2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide

C20H17N7O2 — CID 66925499

IUPAC2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
SMILESCn1ccc2cc(Nc3cnccn3)nc(Nc3ccccc3C(N)=O)c2c1=O
InChIInChI=1S/C20H17N7O2/c1-27-9-6-12-10-15(25-16-11-22-7-8-23-16)26-19(17(12)20(27)29)24-14-5-3-2-4-13(14)18(21)28/h2-11H,1H3,(H2,21,28)(H2,23,24,25,26)
InChIKeyGTQUEQAYGMDBPB-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.31
Rot. Bonds5

About 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide

2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide (PubChem CID 66925499) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
PubChem CID66925499
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
SMILESCn1ccc2cc(Nc3cnccn3)nc(Nc3ccccc3C(N)=O)c2c1=O
InChIInChI=1S/C20H17N7O2/c1-27-9-6-12-10-15(25-16-11-22-7-8-23-16)26-19(17(12)20(27)29)24-14-5-3-2-4-13(14)18(21)28/h2-11H,1H3,(H2,21,28)(H2,23,24,25,26)
InChIKeyGTQUEQAYGMDBPB-UHFFFAOYSA-N
XLogP2.31
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide?
The IUPAC name of 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide (CID 66925499) is 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide.
What is the SMILES notation for 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide?
The canonical SMILES for 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide is Cn1ccc2cc(Nc3cnccn3)nc(Nc3ccccc3C(N)=O)c2c1=O.
What is the InChIKey of 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide?
The InChIKey is GTQUEQAYGMDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-27-9-6-12-10-15(25-16-11-22-7-8-23-16)26-19(17(12)20(27)29)24-14-5-3-2-4-13(14)18(21)28/h2-11H,1H3,(H2,21,28)(H2,23,24,25,26).
What are the key properties of 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide?
2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide has a molecular weight of 387.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide is sourced from PubChem (CID 66925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).