6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide

C16H19BrN4O — CID 109110894

IUPAC6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-18-16(22)14-7-8-15(21-20-14)19-12-6-5-11(2)13(17)10-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHFTCNCFGCKOHGD-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.82
Rot. Bonds6

About 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide

6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide (PubChem CID 109110894) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
PubChem CID109110894
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-18-16(22)14-7-8-15(21-20-14)19-12-6-5-11(2)13(17)10-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHFTCNCFGCKOHGD-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113048068
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide (CID 109110894) is 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(C)c(Br)c2)nn1.
What is the InChIKey of 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide?
The InChIKey is HFTCNCFGCKOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-3-4-9-18-16(22)14-7-8-15(21-20-14)19-12-6-5-11(2)13(17)10-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide?
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide is sourced from PubChem (CID 109110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).