6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide

C14H14Cl2N4O — CID 109109379

IUPAC6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O/c1-2-7-17-14(21)12-5-6-13(20-19-12)18-11-4-3-9(15)8-10(11)16/h3-6,8H,2,7H2,1H3,(H,17,21)(H,18,20)
InChIKeyWNZHPEPQQGOPPU-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.67
Rot. Bonds5

About 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide

6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109379) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
PubChem CID109109379
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O/c1-2-7-17-14(21)12-5-6-13(20-19-12)18-11-4-3-9(15)8-10(11)16/h3-6,8H,2,7H2,1H3,(H,17,21)(H,18,20)
InChIKeyWNZHPEPQQGOPPU-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide (CID 109109379) is 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide?
The InChIKey is WNZHPEPQQGOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-2-7-17-14(21)12-5-6-13(20-19-12)18-11-4-3-9(15)8-10(11)16/h3-6,8H,2,7H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide?
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).