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

C19H21FN2O2 — CID 149237443

IUPAC5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1
InChIInChI=1S/C19H21FN2O2/c1-4-11-5-6-12(15(20)9-11)14-10-16(17(21)23)22-18-13(14)7-8-19(2,3)24-18/h5-6,9-10H,4,7-8H2,1-3H3,(H2,21,23)
InChIKeyXLMSNIXKFJQLRX-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.65
Rot. Bonds3

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

5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 149237443) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
PubChem CID149237443
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
SMILESCCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1
InChIInChI=1S/C19H21FN2O2/c1-4-11-5-6-12(15(20)9-11)14-10-16(17(21)23)22-18-13(14)7-8-19(2,3)24-18/h5-6,9-10H,4,7-8H2,1-3H3,(H2,21,23)
InChIKeyXLMSNIXKFJQLRX-UHFFFAOYSA-N
XLogP3.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
4-[(5S)-5-(1-acetamido-2-methyl-1-oxopropan-2-yl)-9-fluoro-5H-chromeno[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide
CID 117917077
US10335399, Example 2-5
CID 134363739
5-(2-Fluoro-4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166461151
5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166635452
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643698
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643902
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643904
6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 56943456
6-[4-(4-Fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide
CID 56943488

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide (CID 149237443) is 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is CCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1.
What is the InChIKey of 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is XLMSNIXKFJQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-4-11-5-6-12(15(20)9-11)14-10-16(17(21)23)22-18-13(14)7-8-19(2,3)24-18/h5-6,9-10H,4,7-8H2,1-3H3,(H2,21,23).
What are the key properties of 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide?
5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 149237443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).