5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide

C17H16F2N2O2 — CID 134363739

IUPAC5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCC1(C)CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)
InChIKeyIDHJIKSQWCGDIP-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.23
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide

5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363739) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363739
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCC1(C)CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)
InChIKeyIDHJIKSQWCGDIP-UHFFFAOYSA-N
XLogP3.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (CID 134363739) is 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is CC1(C)CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is IDHJIKSQWCGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22).
What are the key properties of 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).