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

C16H21N5O — CID 109120689

IUPACN-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C16H21N5O/c1-3-4-11-21(2)16(22)14-8-9-15(20-19-14)18-12-13-7-5-6-10-17-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyDTMJKOTUEBULSI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.36
Rot. Bonds7

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

N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120689) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120689
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C16H21N5O/c1-3-4-11-21(2)16(22)14-8-9-15(20-19-14)18-12-13-7-5-6-10-17-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyDTMJKOTUEBULSI-UHFFFAOYSA-N
XLogP2.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
6-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 62243774
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62169151
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125688
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120689) is N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is DTMJKOTUEBULSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-4-11-21(2)16(22)14-8-9-15(20-19-14)18-12-13-7-5-6-10-17-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).