2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide

C17H15F2N3O2 — CID 150972391

IUPAC2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
SMILESCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1F
InChIInChI=1S/C17H15F2N3O2/c1-3-4-8-24-13-7-5-6-12(14(13)18)21-17(23)11-9-10(2)15(19)22-16(11)20/h5-7,9H,8H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyLOJOUSWIEWOTJN-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.90
Rot. Bonds4

About 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide

2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide (PubChem CID 150972391) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
PubChem CID150972391
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
SMILESCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1F
InChIInChI=1S/C17H15F2N3O2/c1-3-4-8-24-13-7-5-6-12(14(13)18)21-17(23)11-9-10(2)15(19)22-16(11)20/h5-7,9H,8H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyLOJOUSWIEWOTJN-UHFFFAOYSA-N
XLogP2.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
CID 150267514
2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
CID 150214982
1-but-2-ynoxy-2-fluoro-3-methylbenzene
CID 103988295
2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
CID 152636020
2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
CID 152730865
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-(2-fluoro-3-hept-5-ynoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986624
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246
2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
CID 174610701
N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151247980
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 151119836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide (CID 150972391) is 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide is CC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1F.
What is the InChIKey of 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide?
The InChIKey is LOJOUSWIEWOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-3-4-8-24-13-7-5-6-12(14(13)18)21-17(23)11-9-10(2)15(19)22-16(11)20/h5-7,9H,8H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide?
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 150972391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).