6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide

C16H19ClN4O2 — CID 109111275

IUPAC6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCC(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)9-18-16(22)12-5-7-15(21-20-12)19-13-8-11(17)4-6-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVUMNRXGOLLBHKD-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.27
Rot. Bonds6

About 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111275) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111275
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCC(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)9-18-16(22)12-5-7-15(21-20-12)19-13-8-11(17)4-6-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVUMNRXGOLLBHKD-UHFFFAOYSA-N
XLogP3.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109111323
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111275) is 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)NCC(C)C)nn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is VUMNRXGOLLBHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10(2)9-18-16(22)12-5-7-15(21-20-12)19-13-8-11(17)4-6-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).