3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one

C18H17N7O — CID 142447433

IUPAC3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one
SMILESCNc1cc2cc(-c3cc4cnn(C)c(=O)c4nc3C)nc(N)c2cn1
InChIInChI=1S/C18H17N7O/c1-9-12(4-11-7-22-25(3)18(26)16(11)23-9)14-5-10-6-15(20-2)21-8-13(10)17(19)24-14/h4-8H,1-3H3,(H2,19,24)(H,20,21)
InChIKeyHYGKPSRHPDIGQV-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.87
Rot. Bonds2

About 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one

3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one (PubChem CID 142447433) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one
PubChem CID142447433
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one
SMILESCNc1cc2cc(-c3cc4cnn(C)c(=O)c4nc3C)nc(N)c2cn1
InChIInChI=1S/C18H17N7O/c1-9-12(4-11-7-22-25(3)18(26)16(11)23-9)14-5-10-6-15(20-2)21-8-13(10)17(19)24-14/h4-8H,1-3H3,(H2,19,24)(H,20,21)
InChIKeyHYGKPSRHPDIGQV-UHFFFAOYSA-N
XLogP1.87
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one with MolForge

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Related Compounds

N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 142447521
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705
1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
CID 135344907
cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-1H-pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468861
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
3-(4-ethyl-3-pyridinyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135344997
(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
CID 157232588
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine
CID 158379420
N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 135344881

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one (CID 142447433) is 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one is CNc1cc2cc(-c3cc4cnn(C)c(=O)c4nc3C)nc(N)c2cn1.
What is the InChIKey of 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one?
The InChIKey is HYGKPSRHPDIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-9-12(4-11-7-22-25(3)18(26)16(11)23-9)14-5-10-6-15(20-2)21-8-13(10)17(19)24-14/h4-8H,1-3H3,(H2,19,24)(H,20,21).
What are the key properties of 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one?
3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one has a molecular weight of 347.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-6-(methylamino)-2,7-naphthyridin-3-yl]-2,7-dimethylpyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 142447433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).