3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

C19H17F5N4O2 — CID 151915925

IUPAC3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(N)=O)c(-c2ccc(F)c(C3(C(F)F)N=C(N)CCC3(F)F)c2)c1
InChIInChI=1S/C19H17F5N4O2/c1-30-10-7-11(15(16(26)29)27-8-10)9-2-3-13(20)12(6-9)19(17(21)22)18(23,24)5-4-14(25)28-19/h2-3,6-8,17H,4-5H2,1H3,(H2,25,28)(H2,26,29)
InChIKeySVTIOQURJNUUNM-UHFFFAOYSA-N
MW428.36 g/mol
LogP3.24
Rot. Bonds5

About 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 151915925) has the molecular formula C19H17F5N4O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
PubChem CID151915925
Molecular FormulaC19H17F5N4O2
Molecular Weight428.36 g/mol
Exact Mass428.13
IUPAC Name3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(N)=O)c(-c2ccc(F)c(C3(C(F)F)N=C(N)CCC3(F)F)c2)c1
InChIInChI=1S/C19H17F5N4O2/c1-30-10-7-11(15(16(26)29)27-8-10)9-2-3-13(20)12(6-9)19(17(21)22)18(23,24)5-4-14(25)28-19/h2-3,6-8,17H,4-5H2,1H3,(H2,25,28)(H2,26,29)
InChIKeySVTIOQURJNUUNM-UHFFFAOYSA-N
XLogP3.24
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (CID 151915925) is 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is COc1cnc(C(N)=O)c(-c2ccc(F)c(C3(C(F)F)N=C(N)CCC3(F)F)c2)c1.
What is the InChIKey of 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is SVTIOQURJNUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O2/c1-30-10-7-11(15(16(26)29)27-8-10)9-2-3-13(20)12(6-9)19(17(21)22)18(23,24)5-4-14(25)28-19/h2-3,6-8,17H,4-5H2,1H3,(H2,25,28)(H2,26,29).
What are the key properties of 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 151915925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).