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

C18H19FN2O2 — CID 134396547

IUPAC5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1
InChIInChI=1S/C18H19FN2O2/c1-10-4-5-11(14(19)8-10)13-9-15(16(20)22)21-17-12(13)6-7-18(2,3)23-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)
InChIKeyCFABKBDXTPTREX-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.40
Rot. Bonds2

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

5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134396547) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134396547
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1
InChIInChI=1S/C18H19FN2O2/c1-10-4-5-11(14(19)8-10)13-9-15(16(20)22)21-17-12(13)6-7-18(2,3)23-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)
InChIKeyCFABKBDXTPTREX-UHFFFAOYSA-N
XLogP3.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 149237443
(2R)-5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396225
2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 142316375
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396409
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 159230599
5-(2-fluoro-4-phosphanylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 142316392
ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396473
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;ethyl (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl (2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159224273
ethyl (2S)-2-(2,2-difluoropropyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396365
(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;methyl thiohypofluorite
CID 157143150
ethyl (2R)-2-(difluoromethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396269
(2S)-2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363887

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (CID 134396547) is 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is Cc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is CFABKBDXTPTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-10-4-5-11(14(19)8-10)13-9-15(16(20)22)21-17-12(13)6-7-18(2,3)23-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134396547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).