N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide

C14H16N4O2 — CID 106486781

IUPACN-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
SMILESCNCc1ccc(Oc2ccc(C(=O)NC)nn2)cc1
InChIInChI=1S/C14H16N4O2/c1-15-9-10-3-5-11(6-4-10)20-13-8-7-12(17-18-13)14(19)16-2/h3-8,15H,9H2,1-2H3,(H,16,19)
InChIKeyRRCDZHOKKKXHRT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.35
Rot. Bonds5

About N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide

N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide (PubChem CID 106486781) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
PubChem CID106486781
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
SMILESCNCc1ccc(Oc2ccc(C(=O)NC)nn2)cc1
InChIInChI=1S/C14H16N4O2/c1-15-9-10-3-5-11(6-4-10)20-13-8-7-12(17-18-13)14(19)16-2/h3-8,15H,9H2,1-2H3,(H,16,19)
InChIKeyRRCDZHOKKKXHRT-UHFFFAOYSA-N
XLogP1.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
CID 106486744
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide
CID 103568225
2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
CID 107672683
N-methyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]methanamine
CID 106486820
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine
CID 106486859
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-[4-(methylaminomethyl)phenoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106486774

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide (CID 106486781) is N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide is CNCc1ccc(Oc2ccc(C(=O)NC)nn2)cc1.
What is the InChIKey of N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide?
The InChIKey is RRCDZHOKKKXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-15-9-10-3-5-11(6-4-10)20-13-8-7-12(17-18-13)14(19)16-2/h3-8,15H,9H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide?
N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 106486781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).