6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide

C14H12ClFN4O3 — CID 156880892

IUPAC6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1NC(=O)c1cccc(F)c1OC
InChIInChI=1S/C14H12ClFN4O3/c1-17-14(22)11-9(6-10(15)19-20-11)18-13(21)7-4-3-5-8(16)12(7)23-2/h3-6H,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyZJCKBKGFSBYXQF-UHFFFAOYSA-N
MW338.73 g/mol
LogP1.89
Rot. Bonds4

About 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide

6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 156880892) has the molecular formula C14H12ClFN4O3 and a molecular weight of 338.73 g/mol. Its IUPAC name is 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID156880892
Molecular FormulaC14H12ClFN4O3
Molecular Weight338.73 g/mol
Exact Mass338.06
IUPAC Name6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1NC(=O)c1cccc(F)c1OC
InChIInChI=1S/C14H12ClFN4O3/c1-17-14(22)11-9(6-10(15)19-20-11)18-13(21)7-4-3-5-8(16)12(7)23-2/h3-6H,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyZJCKBKGFSBYXQF-UHFFFAOYSA-N
XLogP1.89
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide (CID 156880892) is 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1NC(=O)c1cccc(F)c1OC.
What is the InChIKey of 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is ZJCKBKGFSBYXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O3/c1-17-14(22)11-9(6-10(15)19-20-11)18-13(21)7-4-3-5-8(16)12(7)23-2/h3-6H,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide?
6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 338.73 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 156880892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).