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

C21H18FN3O3 — CID 58486917

IUPAC3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cc4c(cc3C)OCCO4)cn2)c(F)c1
InChIInChI=1S/C21H18FN3O3/c1-12-7-16(22)20(24-10-12)21(26)25-19-4-3-14(11-23-19)15-9-18-17(8-13(15)2)27-5-6-28-18/h3-4,7-11H,5-6H2,1-2H3,(H,23,25,26)
InChIKeyZEHPNQBMSXONTE-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.92
Rot. Bonds3

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

3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 58486917) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID58486917
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cc4c(cc3C)OCCO4)cn2)c(F)c1
InChIInChI=1S/C21H18FN3O3/c1-12-7-16(22)20(24-10-12)21(26)25-19-4-3-14(11-23-19)15-9-18-17(8-13(15)2)27-5-6-28-18/h3-4,7-11H,5-6H2,1-2H3,(H,23,25,26)
InChIKeyZEHPNQBMSXONTE-UHFFFAOYSA-N
XLogP3.92
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 58486917) is 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]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)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-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)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ZEHPNQBMSXONTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-12-7-16(22)20(24-10-12)21(26)25-19-4-3-14(11-23-19)15-9-18-17(8-13(15)2)27-5-6-28-18/h3-4,7-11H,5-6H2,1-2H3,(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)-2-pyridinyl]pyridine-2-carboxamide?
3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58486917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).