N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide

C15H16ClFN4O — CID 109110889

IUPACN-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H16ClFN4O/c1-2-3-8-18-15(22)13-6-7-14(21-20-13)19-10-4-5-12(17)11(16)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,21)
InChIKeyNJPMRHHJYVIODQ-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.54
Rot. Bonds6

About N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide

N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109110889) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109110889
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC NameN-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H16ClFN4O/c1-2-3-8-18-15(22)13-6-7-14(21-20-13)19-10-4-5-12(17)11(16)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,21)
InChIKeyNJPMRHHJYVIODQ-UHFFFAOYSA-N
XLogP3.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.54
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

N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
N-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide (CID 109110889) is N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is NJPMRHHJYVIODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c1-2-3-8-18-15(22)13-6-7-14(21-20-13)19-10-4-5-12(17)11(16)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide?
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).