N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide

C20H17FN4O2 — CID 45165581

IUPACN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)n1
InChIInChI=1S/C20H17FN4O2/c1-12-3-2-4-17(25-12)20(26)24-10-15-8-13-7-14(21)9-16(19(13)27-15)18-11-22-5-6-23-18/h2-7,9,11,15H,8,10H2,1H3,(H,24,26)
InChIKeyWOEXLKVXQMBNDL-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.72
Rot. Bonds4

About N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide

N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 45165581) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID45165581
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)n1
InChIInChI=1S/C20H17FN4O2/c1-12-3-2-4-17(25-12)20(26)24-10-15-8-13-7-14(21)9-16(19(13)27-15)18-11-22-5-6-23-18/h2-7,9,11,15H,8,10H2,1H3,(H,24,26)
InChIKeyWOEXLKVXQMBNDL-UHFFFAOYSA-N
XLogP2.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide (CID 45165581) is N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)n1.
What is the InChIKey of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is WOEXLKVXQMBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-12-3-2-4-17(25-12)20(26)24-10-15-8-13-7-14(21)9-16(19(13)27-15)18-11-22-5-6-23-18/h2-7,9,11,15H,8,10H2,1H3,(H,24,26).
What are the key properties of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide?
N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 45165581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).