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

C20H21N5O — CID 109121003

IUPAC6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NCc3cccnc3)nn2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-13-9-14(2)19(15(3)10-13)23-20(26)17-6-7-18(25-24-17)22-12-16-5-4-8-21-11-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQCSYRPMREIBWGG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.66
Rot. Bonds5

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

6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109121003) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
PubChem CID109121003
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NCc3cccnc3)nn2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-13-9-14(2)19(15(3)10-13)23-20(26)17-6-7-18(25-24-17)22-12-16-5-4-8-21-11-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQCSYRPMREIBWGG-UHFFFAOYSA-N
XLogP3.66
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (CID 109121003) is 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(NCc3cccnc3)nn2)c(C)c1.
What is the InChIKey of 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is QCSYRPMREIBWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-9-14(2)19(15(3)10-13)23-20(26)17-6-7-18(25-24-17)22-12-16-5-4-8-21-11-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).