N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide

C18H24N4O3 — CID 109125715

IUPACN-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C18H24N4O3/c1-5-6-11-22(2)18(23)14-8-10-17(21-20-14)19-15-12-13(24-3)7-9-16(15)25-4/h7-10,12H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyDTLJUPFYVMWIHD-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds8

About N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide

N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109125715) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109125715
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C18H24N4O3/c1-5-6-11-22(2)18(23)14-8-10-17(21-20-14)19-15-12-13(24-3)7-9-16(15)25-4/h7-10,12H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyDTLJUPFYVMWIHD-UHFFFAOYSA-N
XLogP3.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126252
6-(2,5-dimethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124457
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
methyl 3-[[6-[butyl(methyl)carbamoyl]pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109125728
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125688
N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide (CID 109125715) is N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2cc(OC)ccc2OC)nn1.
What is the InChIKey of N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is DTLJUPFYVMWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-6-11-22(2)18(23)14-8-10-17(21-20-14)19-15-12-13(24-3)7-9-16(15)25-4/h7-10,12H,5-6,11H2,1-4H3,(H,19,21).
What are the key properties of N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109125715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).