N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

C19H19N5O3 — CID 109121032

IUPACN-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)nn2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-5-6-15(17(10-14)27-2)22-19(25)16-7-8-18(24-23-16)21-12-13-4-3-9-20-11-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMMAVMOWWOXBFOI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.75
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121032) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121032
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)nn2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-5-6-15(17(10-14)27-2)22-19(25)16-7-8-18(24-23-16)21-12-13-4-3-9-20-11-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMMAVMOWWOXBFOI-UHFFFAOYSA-N
XLogP2.75
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (CID 109121032) is N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCc3cccnc3)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is MMAVMOWWOXBFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-14-5-6-15(17(10-14)27-2)22-19(25)16-7-8-18(24-23-16)21-12-13-4-3-9-20-11-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).