5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide

C18H19FN2O3 — CID 166635452

IUPAC5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCC1(C)CCc2c(-c3ccc(O[11CH3])cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H19FN2O3/c1-18(2)7-6-12-13(9-15(16(20)22)21-17(12)24-18)11-5-4-10(23-3)8-14(11)19/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)/i3-1
InChIKeyBGZMSLRKXOWQCL-KTXUZGJCSA-N
MW329.36 g/mol
LogP3.10
Rot. Bonds3

About 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide

5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 166635452) has the molecular formula C18H19FN2O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
PubChem CID166635452
Molecular FormulaC18H19FN2O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCC1(C)CCc2c(-c3ccc(O[11CH3])cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H19FN2O3/c1-18(2)7-6-12-13(9-15(16(20)22)21-17(12)24-18)11-5-4-10(23-3)8-14(11)19/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)/i3-1
InChIKeyBGZMSLRKXOWQCL-KTXUZGJCSA-N
XLogP3.10
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (CID 166635452) is 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is CC1(C)CCc2c(-c3ccc(O[11CH3])cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is BGZMSLRKXOWQCL-KTXUZGJCSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2)7-6-12-13(9-15(16(20)22)21-17(12)24-18)11-5-4-10(23-3)8-14(11)19/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)/i3-1.
What are the key properties of 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 166635452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).