3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide

C20H17FN4O3 — CID 58487219

IUPAC3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc(-c3cc4c(cc3C)OCCO4)cn2)c(F)c1
InChIInChI=1S/C20H17FN4O3/c1-11-5-14(21)19(24-8-11)20(26)25-18-10-22-15(9-23-18)13-7-17-16(6-12(13)2)27-3-4-28-17/h5-10H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyVPKVWLYGVINNPW-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.32
Rot. Bonds3

About 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide

3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 58487219) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide
PubChem CID58487219
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc(-c3cc4c(cc3C)OCCO4)cn2)c(F)c1
InChIInChI=1S/C20H17FN4O3/c1-11-5-14(21)19(24-8-11)20(26)25-18-10-22-15(9-23-18)13-7-17-16(6-12(13)2)27-3-4-28-17/h5-10H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyVPKVWLYGVINNPW-UHFFFAOYSA-N
XLogP3.32
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide (CID 58487219) is 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cnc(-c3cc4c(cc3C)OCCO4)cn2)c(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is VPKVWLYGVINNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-11-5-14(21)19(24-8-11)20(26)25-18-10-22-15(9-23-18)13-7-17-16(6-12(13)2)27-3-4-28-17/h5-10H,3-4H2,1-2H3,(H,23,25,26).
What are the key properties of 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide?
3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58487219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).