N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H16ClN5O3 — CID 139521417

IUPACN-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(COc3cccc(Cl)c3)nn2)CCC1=O
InChIInChI=1S/C17H16ClN5O3/c1-23-16(24)8-6-14(22-23)17(25)19-15-7-5-12(20-21-15)10-26-13-4-2-3-11(18)9-13/h2-5,7,9H,6,8,10H2,1H3,(H,19,21,25)
InChIKeyNCRQFAHLCOKVPP-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.26
Rot. Bonds5

About N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521417) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521417
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC NameN-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(COc3cccc(Cl)c3)nn2)CCC1=O
InChIInChI=1S/C17H16ClN5O3/c1-23-16(24)8-6-14(22-23)17(25)19-15-7-5-12(20-21-15)10-26-13-4-2-3-11(18)9-13/h2-5,7,9H,6,8,10H2,1H3,(H,19,21,25)
InChIKeyNCRQFAHLCOKVPP-UHFFFAOYSA-N
XLogP2.26
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153150
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30710454
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55445766
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 139521789
2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 119231693
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
3-hydroxy-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 60825037

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521417) is N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(COc3cccc(Cl)c3)nn2)CCC1=O.
What is the InChIKey of N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NCRQFAHLCOKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-23-16(24)8-6-14(22-23)17(25)19-15-7-5-12(20-21-15)10-26-13-4-2-3-11(18)9-13/h2-5,7,9H,6,8,10H2,1H3,(H,19,21,25).
What are the key properties of N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).