N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide

C19H19FN6O3 — CID 175427899

IUPACN-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnccc1Nc1cc(F)cc(-c2ncc(C)cn2)c1OC
InChIInChI=1S/C19H19FN6O3/c1-4-29-26-19(27)16-14(5-6-23-25-16)24-15-8-12(20)7-13(17(15)28-3)18-21-9-11(2)10-22-18/h5-10H,4H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyWTSDNKPQXLSLTC-UHFFFAOYSA-N
MW398.40 g/mol
LogP2.81
Rot. Bonds7

About N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide

N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide (PubChem CID 175427899) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide
PubChem CID175427899
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC NameN-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnccc1Nc1cc(F)cc(-c2ncc(C)cn2)c1OC
InChIInChI=1S/C19H19FN6O3/c1-4-29-26-19(27)16-14(5-6-23-25-16)24-15-8-12(20)7-13(17(15)28-3)18-21-9-11(2)10-22-18/h5-10H,4H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyWTSDNKPQXLSLTC-UHFFFAOYSA-N
XLogP2.81
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(2,5-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridine-3-carboxamide
CID 167101505
4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-ethoxypyridazine-3-carboxamide
CID 175966216
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 163387500
2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide
CID 175887632
6-(1-carbamoyl-2,2-difluorocyclopropyl)-4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxypyridine-3-carboxamide
CID 175304155
N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
CID 175957118
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028782
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 175957147
ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476271
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(2,2,2-trideuterioethyl)pyridazine-3-carboxamide
CID 157028716

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide (CID 175427899) is N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide is CCONC(=O)c1nnccc1Nc1cc(F)cc(-c2ncc(C)cn2)c1OC.
What is the InChIKey of N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide?
The InChIKey is WTSDNKPQXLSLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-4-29-26-19(27)16-14(5-6-23-25-16)24-15-8-12(20)7-13(17(15)28-3)18-21-9-11(2)10-22-18/h5-10H,4H2,1-3H3,(H,23,24)(H,26,27).
What are the key properties of N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide?
N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 175427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).