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

C21H23N5O — CID 109118133

IUPACN-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C21H23N5O/c1-16-5-3-4-6-18(16)15-23-21(27)19-7-8-20(25-24-19)26(2)14-11-17-9-12-22-13-10-17/h3-10,12-13H,11,14-15H2,1-2H3,(H,23,27)
InChIKeyPSBZOUDEICYCOS-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.79
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (PubChem CID 109118133) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
PubChem CID109118133
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C21H23N5O/c1-16-5-3-4-6-18(16)15-23-21(27)19-7-8-20(25-24-19)26(2)14-11-17-9-12-22-13-10-17/h3-10,12-13H,11,14-15H2,1-2H3,(H,23,27)
InChIKeyPSBZOUDEICYCOS-UHFFFAOYSA-N
XLogP2.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122510
N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109122580
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122631
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (CID 109118133) is N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(N(C)CCc2ccncc2)nn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The InChIKey is PSBZOUDEICYCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-5-3-4-6-18(16)15-23-21(27)19-7-8-20(25-24-19)26(2)14-11-17-9-12-22-13-10-17/h3-10,12-13H,11,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).