5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

C23H19FN4O3 — CID 167512241

IUPAC5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C23H19FN4O3/c1-13-5-3-4-6-17(13)27-21-18(10-15(12-26-21)22(29)25-2)28-23(30)20-11-14-9-16(24)7-8-19(14)31-20/h3-12H,1-2H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyGHQYZXGLXSVXSI-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.63
Rot. Bonds5

About 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 167512241) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
PubChem CID167512241
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C23H19FN4O3/c1-13-5-3-4-6-17(13)27-21-18(10-15(12-26-21)22(29)25-2)28-23(30)20-11-14-9-16(24)7-8-19(14)31-20/h3-12H,1-2H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyGHQYZXGLXSVXSI-UHFFFAOYSA-N
XLogP4.63
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (CID 167512241) is 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is GHQYZXGLXSVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-13-5-3-4-6-17(13)27-21-18(10-15(12-26-21)22(29)25-2)28-23(30)20-11-14-9-16(24)7-8-19(14)31-20/h3-12H,1-2H3,(H,25,29)(H,26,27)(H,28,30).
What are the key properties of 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167512241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).