N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide

C21H23N5O2 — CID 109122631

IUPACN-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C21H23N5O2/c1-15-4-6-19(28-3)18(14-15)23-21(27)17-5-7-20(25-24-17)26(2)13-10-16-8-11-22-12-9-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,27)
InChIKeyKMLSSPBZVBYVEB-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.12
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (PubChem CID 109122631) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
PubChem CID109122631
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C21H23N5O2/c1-15-4-6-19(28-3)18(14-15)23-21(27)17-5-7-20(25-24-17)26(2)13-10-16-8-11-22-12-9-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,27)
InChIKeyKMLSSPBZVBYVEB-UHFFFAOYSA-N
XLogP3.12
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(dipropylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109126173
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
6-N-(2-methoxy-5-methylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861862
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (CID 109122631) is N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(N(C)CCc2ccncc2)nn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The InChIKey is KMLSSPBZVBYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-4-6-19(28-3)18(14-15)23-21(27)17-5-7-20(25-24-17)26(2)13-10-16-8-11-22-12-9-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).