N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C18H19F2N3O3 — CID 95346205

IUPACN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1C
InChIInChI=1S/C18H19F2N3O3/c1-9-10(2)22-23-17(25)15(9)16(24)21-14-5-3-4-11-8-12(26-18(19)20)6-7-13(11)14/h6-8,14,18H,3-5H2,1-2H3,(H,21,24)(H,23,25)/t14-/m1/s1
InChIKeyGAZHCYVOAYTPPP-CQSZACIVSA-N
MW363.36 g/mol
LogP2.80
Rot. Bonds4

About N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 95346205) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID95346205
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC NameN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1C
InChIInChI=1S/C18H19F2N3O3/c1-9-10(2)22-23-17(25)15(9)16(24)21-14-5-3-4-11-8-12(26-18(19)20)6-7-13(11)14/h6-8,14,18H,3-5H2,1-2H3,(H,21,24)(H,23,25)/t14-/m1/s1
InChIKeyGAZHCYVOAYTPPP-CQSZACIVSA-N
XLogP2.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94829246
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
CID 136533245
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
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
3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 95905058
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-2-carboxamide
CID 119310209

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 95346205) is N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1C.
What is the InChIKey of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is GAZHCYVOAYTPPP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-9-10(2)22-23-17(25)15(9)16(24)21-14-5-3-4-11-8-12(26-18(19)20)6-7-13(11)14/h6-8,14,18H,3-5H2,1-2H3,(H,21,24)(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 95346205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).