[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C19H22N4O — CID 95600366

IUPAC[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)[C@H]1CCCc3ccccc31)C2
InChIInChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyRGNGSXAOPZHEEG-INIZCTEOSA-N
MW322.41 g/mol
LogP2.52
Rot. Bonds2

About [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 95600366) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID95600366
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)[C@H]1CCCc3ccccc31)C2
InChIInChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyRGNGSXAOPZHEEG-INIZCTEOSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-2-one
CID 60728850
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95978130
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
(3-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 95347267
[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 56778343
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523156

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 95600366) is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is CNc1cc2c(nn1)CCN(C(=O)[C@H]1CCCc3ccccc31)C2.
What is the InChIKey of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is RGNGSXAOPZHEEG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 95600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).