N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide

C19H26N4O — CID 109124715

IUPACN-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)18(24)16-11-12-17(22-21-16)20-19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,22)
InChIKeyFBNWZOXESDGWPK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.74
Rot. Bonds5

About N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide

N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109124715) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109124715
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)18(24)16-11-12-17(22-21-16)20-19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,22)
InChIKeyFBNWZOXESDGWPK-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125140
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109110994
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109122580
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
6-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
CID 62178131
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109124715) is N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)nn1.
What is the InChIKey of N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is FBNWZOXESDGWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)18(24)16-11-12-17(22-21-16)20-19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,22).
What are the key properties of N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109124715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).