N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C17H19F2N3O4 — CID 46440883

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(OC)c(OC(F)F)c2)ccc1=O
InChIInChI=1S/C17H19F2N3O4/c1-3-8-22-15(23)7-5-12(21-22)16(24)20-10-11-4-6-13(25-2)14(9-11)26-17(18)19/h4-7,9,17H,3,8,10H2,1-2H3,(H,20,24)
InChIKeyZIVZKBBNRFKRRM-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.19
Rot. Bonds8

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 46440883) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID46440883
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(OC)c(OC(F)F)c2)ccc1=O
InChIInChI=1S/C17H19F2N3O4/c1-3-8-22-15(23)7-5-12(21-22)16(24)20-10-11-4-6-13(25-2)14(9-11)26-17(18)19/h4-7,9,17H,3,8,10H2,1-2H3,(H,20,24)
InChIKeyZIVZKBBNRFKRRM-UHFFFAOYSA-N
XLogP2.19
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55654282
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78808234
1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 31791793
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 46440883) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2ccc(OC)c(OC(F)F)c2)ccc1=O.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ZIVZKBBNRFKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-3-8-22-15(23)7-5-12(21-22)16(24)20-10-11-4-6-13(25-2)14(9-11)26-17(18)19/h4-7,9,17H,3,8,10H2,1-2H3,(H,20,24).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 46440883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).