N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

C16H21N5O — CID 109121261

IUPACN-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C16H21N5O/c1-12(2)5-10-18-16(22)14-3-4-15(21-20-14)19-11-13-6-8-17-9-7-13/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDJTOAYADKXJZEG-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.26
Rot. Bonds7

About N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121261) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121261
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C16H21N5O/c1-12(2)5-10-18-16(22)14-3-4-15(21-20-14)19-11-13-6-8-17-9-7-13/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDJTOAYADKXJZEG-UHFFFAOYSA-N
XLogP2.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307488
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109114110
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (CID 109121261) is N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(NCc2ccncc2)nn1.
What is the InChIKey of N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is DJTOAYADKXJZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)5-10-18-16(22)14-3-4-15(21-20-14)19-11-13-6-8-17-9-7-13/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).