6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide

C17H18F2N4O2 — CID 95968313

IUPAC6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1
InChIInChI=1S/C17H18F2N4O2/c1-20-16(24)14-7-8-15(23-22-14)21-13-4-2-3-10-9-11(25-17(18)19)5-6-12(10)13/h5-9,13,17H,2-4H2,1H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyZALCAAQBDDNXML-ZDUSSCGKSA-N
MW348.35 g/mol
LogP2.93
Rot. Bonds5

About 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide

6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 95968313) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID95968313
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1
InChIInChI=1S/C17H18F2N4O2/c1-20-16(24)14-7-8-15(23-22-14)21-13-4-2-3-10-9-11(25-17(18)19)5-6-12(10)13/h5-9,13,17H,2-4H2,1H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyZALCAAQBDDNXML-ZDUSSCGKSA-N
XLogP2.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-ethylpyridine-4-carboxamide
CID 75437261
3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 95905058
(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95346205
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide (CID 95968313) is 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1.
What is the InChIKey of 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is ZALCAAQBDDNXML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-20-16(24)14-7-8-15(23-22-14)21-13-4-2-3-10-9-11(25-17(18)19)5-6-12(10)13/h5-9,13,17H,2-4H2,1H3,(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide?
6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 95968313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).