N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C19H19N5O — CID 109119056

IUPACN-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C19H19N5O/c1-24(14-15-7-3-2-4-8-15)19(25)17-10-11-18(23-22-17)21-13-16-9-5-6-12-20-16/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyTYUSFBGLBSJHMW-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.76
Rot. Bonds6

About N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109119056) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109119056
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C19H19N5O/c1-24(14-15-7-3-2-4-8-15)19(25)17-10-11-18(23-22-17)21-13-16-9-5-6-12-20-16/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyTYUSFBGLBSJHMW-UHFFFAOYSA-N
XLogP2.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
6-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 62243774
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109119056) is N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is TYUSFBGLBSJHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24(14-15-7-3-2-4-8-15)19(25)17-10-11-18(23-22-17)21-13-16-9-5-6-12-20-16/h2-12H,13-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).