4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide

C18H16FN5O — CID 168928827

IUPAC4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(N)c(F)cc3C)c2)ccn1
InChIInChI=1S/C18H16FN5O/c1-10-5-14(19)15(20)8-13(10)16-7-12(9-23-24-16)11-3-4-22-17(6-11)18(25)21-2/h3-9H,20H2,1-2H3,(H,21,25)
InChIKeyNWRIXKRNCPLLNH-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.59
Rot. Bonds3

About 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide

4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 168928827) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID168928827
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(N)c(F)cc3C)c2)ccn1
InChIInChI=1S/C18H16FN5O/c1-10-5-14(19)15(20)8-13(10)16-7-12(9-23-24-16)11-3-4-22-17(6-11)18(25)21-2/h3-9H,20H2,1-2H3,(H,21,25)
InChIKeyNWRIXKRNCPLLNH-UHFFFAOYSA-N
XLogP2.59
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 170100895
4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 168930391
4-amino-N,5-dimethylpyridine-2-carboxamide
CID 153471844
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 176565447
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
CID 168928786
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide (CID 168928827) is 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cnnc(-c3cc(N)c(F)cc3C)c2)ccn1.
What is the InChIKey of 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is NWRIXKRNCPLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-10-5-14(19)15(20)8-13(10)16-7-12(9-23-24-16)11-3-4-22-17(6-11)18(25)21-2/h3-9H,20H2,1-2H3,(H,21,25).
What are the key properties of 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168928827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).