8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one

C19H24N6O — CID 58167056

IUPAC8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
SMILESCCCn1ccc2cc(Nc3cnccn3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C19H24N6O/c1-5-9-25-10-6-13-11-14(22-15-12-20-7-8-21-15)23-17(16(13)18(25)26)24-19(2,3)4/h6-8,10-12H,5,9H2,1-4H3,(H2,21,22,23,24)
InChIKeyLVIIYVVJIJGOJZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.55
Rot. Bonds5

About 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one

8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one (PubChem CID 58167056) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
PubChem CID58167056
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
SMILESCCCn1ccc2cc(Nc3cnccn3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C19H24N6O/c1-5-9-25-10-6-13-11-14(22-15-12-20-7-8-21-15)23-17(16(13)18(25)26)24-19(2,3)4/h6-8,10-12H,5,9H2,1-4H3,(H2,21,22,23,24)
InChIKeyLVIIYVVJIJGOJZ-UHFFFAOYSA-N
XLogP3.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one (CID 58167056) is 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one is CCCn1ccc2cc(Nc3cnccn3)nc(NC(C)(C)C)c2c1=O.
What is the InChIKey of 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The InChIKey is LVIIYVVJIJGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-9-25-10-6-13-11-14(22-15-12-20-7-8-21-15)23-17(16(13)18(25)26)24-19(2,3)4/h6-8,10-12H,5,9H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one has a molecular weight of 352.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).