3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide

C15H19N5O — CID 113042195

IUPAC3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O/c1-11(2)9-15(21)18-14-4-3-13(19-20-14)17-10-12-5-7-16-8-6-12/h3-8,11H,9-10H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyYGJUPHGQFQUPFJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.47
Rot. Bonds6

About 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide

3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide (PubChem CID 113042195) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
PubChem CID113042195
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O/c1-11(2)9-15(21)18-14-4-3-13(19-20-14)17-10-12-5-7-16-8-6-12/h3-8,11H,9-10H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyYGJUPHGQFQUPFJ-UHFFFAOYSA-N
XLogP2.47
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
CID 113042074
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide (CID 113042195) is 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide is CC(C)CC(=O)Nc1ccc(NCc2ccncc2)nn1.
What is the InChIKey of 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide?
The InChIKey is YGJUPHGQFQUPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(2)9-15(21)18-14-4-3-13(19-20-14)17-10-12-5-7-16-8-6-12/h3-8,11H,9-10H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide?
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113042195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).