(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide

C17H17ClFN3O2 — CID 174021515

IUPAC(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide
SMILESCC[C@H]1O[C@@H](C)Cc2c(-c3ncc(Cl)cc3F)cc(C(N)=O)nc21
InChIInChI=1S/C17H17ClFN3O2/c1-3-14-16-10(4-8(2)24-14)11(6-13(22-16)17(20)23)15-12(19)5-9(18)7-21-15/h5-8,14H,3-4H2,1-2H3,(H2,20,23)/t8-,14+/m0/s1
InChIKeyVRVVBFJQZJZDGY-RMLUDKJBSA-N
MW349.79 g/mol
LogP3.45
Rot. Bonds3

About (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide

(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide (PubChem CID 174021515) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide
PubChem CID174021515
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide
SMILESCC[C@H]1O[C@@H](C)Cc2c(-c3ncc(Cl)cc3F)cc(C(N)=O)nc21
InChIInChI=1S/C17H17ClFN3O2/c1-3-14-16-10(4-8(2)24-14)11(6-13(22-16)17(20)23)15-12(19)5-9(18)7-21-15/h5-8,14H,3-4H2,1-2H3,(H2,20,23)/t8-,14+/m0/s1
InChIKeyVRVVBFJQZJZDGY-RMLUDKJBSA-N
XLogP3.45
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone
CID 158442907
ethyl (1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxylate
CID 134370886
ethyl (1S,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxylate
CID 175232855
(1R,9S)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide
CID 134370925
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 3-(5-chloro-3-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-5-carboxylate
CID 54116858
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396409
4-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
CID 118911016
(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
(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
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide?
The IUPAC name of (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide (CID 174021515) is (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide.
What is the SMILES notation for (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide?
The canonical SMILES for (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide is CC[C@H]1O[C@@H](C)Cc2c(-c3ncc(Cl)cc3F)cc(C(N)=O)nc21.
What is the InChIKey of (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide?
The InChIKey is VRVVBFJQZJZDGY-RMLUDKJBSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-3-14-16-10(4-8(2)24-14)11(6-13(22-16)17(20)23)15-12(19)5-9(18)7-21-15/h5-8,14H,3-4H2,1-2H3,(H2,20,23)/t8-,14+/m0/s1.
What are the key properties of (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide?
(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide has a molecular weight of 349.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 174021515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).