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

C16H18ClFN4O — CID 109125702

IUPACN-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C16H18ClFN4O/c1-3-4-9-22(2)16(23)14-7-8-15(21-20-14)19-11-5-6-13(18)12(17)10-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyLKNAIFCUWIQZAC-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.88
Rot. Bonds6

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

N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109125702) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109125702
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC NameN-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C16H18ClFN4O/c1-3-4-9-22(2)16(23)14-7-8-15(21-20-14)19-11-5-6-13(18)12(17)10-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyLKNAIFCUWIQZAC-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
methyl 3-[[6-[butyl(methyl)carbamoyl]pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109125728
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide (CID 109125702) is N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is LKNAIFCUWIQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-3-4-9-22(2)16(23)14-7-8-15(21-20-14)19-11-5-6-13(18)12(17)10-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109125702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).