N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine

C22H26N4O2 — CID 170172737

IUPACN-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1cc(C)ccc1-c1nnc(NC2CCC(C)(C)OC2)c2cnccc12
InChIInChI=1S/C22H26N4O2/c1-14-5-6-17(19(11-14)27-4)20-16-8-10-23-12-18(16)21(26-25-20)24-15-7-9-22(2,3)28-13-15/h5-6,8,10-12,15H,7,9,13H2,1-4H3,(H,24,26)
InChIKeyCEIUBGUMYLPHMI-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.38
Rot. Bonds4

About N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine

N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine (PubChem CID 170172737) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
PubChem CID170172737
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1cc(C)ccc1-c1nnc(NC2CCC(C)(C)OC2)c2cnccc12
InChIInChI=1S/C22H26N4O2/c1-14-5-6-17(19(11-14)27-4)20-16-8-10-23-12-18(16)21(26-25-20)24-15-7-9-22(2,3)28-13-15/h5-6,8,10-12,15H,7,9,13H2,1-4H3,(H,24,26)
InChIKeyCEIUBGUMYLPHMI-UHFFFAOYSA-N
XLogP4.38
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171553774
3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol
CID 167137978
tert-butyl (3R)-3-[[1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151316
4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine
CID 176862074
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703
2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol
CID 174238230
1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 170173524
N-[(3R)-1-methylpiperidin-3-yl]-1-[4-methyl-2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852574
5-chloro-2-[4-(oxolan-3-ylamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171553769
tert-butyl (3R)-3-[[1-(4-bromo-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151271
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile
CID 171852773
4-(2-methoxy-4,6-dimethylphenyl)-N-[(1R,5S)-3-oxabicyclo[3.2.1]octan-8-yl]pyrido[3,4-d]pyridazin-1-amine
CID 171553753

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine (CID 170172737) is N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine is COc1cc(C)ccc1-c1nnc(NC2CCC(C)(C)OC2)c2cnccc12.
What is the InChIKey of N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is CEIUBGUMYLPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-5-6-17(19(11-14)27-4)20-16-8-10-23-12-18(16)21(26-25-20)24-15-7-9-22(2,3)28-13-15/h5-6,8,10-12,15H,7,9,13H2,1-4H3,(H,24,26).
What are the key properties of N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine?
N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 170172737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).