N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

C19H26N4O — CID 109125688

IUPACN-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)17-11-12-18(22-21-17)20-16-10-8-7-9-15(16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,22)
InChIKeySTOCNEBUMBZUFS-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.22
Rot. Bonds7

About N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109125688) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109125688
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)17-11-12-18(22-21-17)20-16-10-8-7-9-15(16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,22)
InChIKeySTOCNEBUMBZUFS-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
methyl 3-[[6-[butyl(methyl)carbamoyl]pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109125728
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702
N-(furan-2-ylmethyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109117595
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109125688) is N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2ccccc2C(C)C)nn1.
What is the InChIKey of N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is STOCNEBUMBZUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)17-11-12-18(22-21-17)20-16-10-8-7-9-15(16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,22).
What are the key properties of N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).