6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide

C14H16N4O3 — CID 103568225

IUPAC6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2cc(CN)cc(OC)c2)nn1
InChIInChI=1S/C14H16N4O3/c1-16-14(19)12-3-4-13(18-17-12)21-11-6-9(8-15)5-10(7-11)20-2/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyMKPQQYDNBVQTQR-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.10
Rot. Bonds5

About 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide

6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide (PubChem CID 103568225) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide
PubChem CID103568225
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2cc(CN)cc(OC)c2)nn1
InChIInChI=1S/C14H16N4O3/c1-16-14(19)12-3-4-13(18-17-12)21-11-6-9(8-15)5-10(7-11)20-2/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyMKPQQYDNBVQTQR-UHFFFAOYSA-N
XLogP1.10
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
CID 106486781
2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
CID 107672683
N-(2-amino-2-oxoethyl)-6-methoxypyridazine-3-carboxamide
CID 90509437
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 62297633
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
6-amino-N-(3,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 62151472
[3-(5,6-dimethylpyrazin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 103568182
N-(3,5-dimethoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62173292
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329406

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide (CID 103568225) is 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(Oc2cc(CN)cc(OC)c2)nn1.
What is the InChIKey of 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is MKPQQYDNBVQTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-16-14(19)12-3-4-13(18-17-12)21-11-6-9(8-15)5-10(7-11)20-2/h3-7H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide?
6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 103568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).