4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide

C19H18F2N4O3 — CID 177235413

IUPAC4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide
SMILESCOC1=CNC(C(F)F)C=C1c1cc(-n2ccc(C)cc2=O)ncc1C(N)=O
InChIInChI=1S/C19H18F2N4O3/c1-10-3-4-25(17(26)5-10)16-7-11(13(8-24-16)19(22)27)12-6-14(18(20)21)23-9-15(12)28-2/h3-9,14,18,23H,1-2H3,(H2,22,27)
InChIKeyFMVVHQABGAZGDF-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.75
Rot. Bonds5

About 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide

4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide (PubChem CID 177235413) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide
PubChem CID177235413
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide
SMILESCOC1=CNC(C(F)F)C=C1c1cc(-n2ccc(C)cc2=O)ncc1C(N)=O
InChIInChI=1S/C19H18F2N4O3/c1-10-3-4-25(17(26)5-10)16-7-11(13(8-24-16)19(22)27)12-6-14(18(20)21)23-9-15(12)28-2/h3-9,14,18,23H,1-2H3,(H2,22,27)
InChIKeyFMVVHQABGAZGDF-UHFFFAOYSA-N
XLogP1.75
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide (CID 177235413) is 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide is COC1=CNC(C(F)F)C=C1c1cc(-n2ccc(C)cc2=O)ncc1C(N)=O.
What is the InChIKey of 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The InChIKey is FMVVHQABGAZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-10-3-4-25(17(26)5-10)16-7-11(13(8-24-16)19(22)27)12-6-14(18(20)21)23-9-15(12)28-2/h3-9,14,18,23H,1-2H3,(H2,22,27).
What are the key properties of 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide?
4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 177235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).