2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide

C14H17N5O — CID 113042074

IUPAC2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C14H17N5O/c1-10(2)14(20)17-13-6-5-12(18-19-13)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyIDBOQAXTPKSDSH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide

2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide (PubChem CID 113042074) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
PubChem CID113042074
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C14H17N5O/c1-10(2)14(20)17-13-6-5-12(18-19-13)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyIDBOQAXTPKSDSH-UHFFFAOYSA-N
XLogP2.08
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
CID 113041820
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide (CID 113042074) is 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide is CC(C)C(=O)Nc1ccc(NCc2cccnc2)nn1.
What is the InChIKey of 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide?
The InChIKey is IDBOQAXTPKSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(2)14(20)17-13-6-5-12(18-19-13)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide?
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113042074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).