6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide

C19H17ClN4O3 — CID 109126727

IUPAC6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c(OC)cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-26-16-11-15(17(27-2)10-13(16)20)22-18-9-8-14(23-24-18)19(25)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyZCNRRWKTRVRIQB-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

About 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide

6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109126727) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109126727
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c(OC)cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-26-16-11-15(17(27-2)10-13(16)20)22-18-9-8-14(23-24-18)19(25)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyZCNRRWKTRVRIQB-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide (CID 109126727) is 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide is COc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c(OC)cc1Cl.
What is the InChIKey of 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is ZCNRRWKTRVRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-16-11-15(17(27-2)10-13(16)20)22-18-9-8-14(23-24-18)19(25)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109126727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).