2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

C21H16F2N4O3S — CID 164882801

IUPAC2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCS(=O)(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3cc[nH]c(=O)c23)nc1
InChIInChI=1S/C21H16F2N4O3S/c1-31(29,30)11-12-5-6-18(25-10-12)27-17-9-16(19-13(22)3-2-4-14(19)23)26-15-7-8-24-21(28)20(15)17/h2-10H,11H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyHJZZDADFZSFUKA-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.55
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 164882801) has the molecular formula C21H16F2N4O3S and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
PubChem CID164882801
Molecular FormulaC21H16F2N4O3S
Molecular Weight442.45 g/mol
Exact Mass442.09
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCS(=O)(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3cc[nH]c(=O)c23)nc1
InChIInChI=1S/C21H16F2N4O3S/c1-31(29,30)11-12-5-6-18(25-10-12)27-17-9-16(19-13(22)3-2-4-14(19)23)26-15-7-8-24-21(28)20(15)17/h2-10H,11H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyHJZZDADFZSFUKA-UHFFFAOYSA-N
XLogP3.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 164882801) is 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is CS(=O)(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3cc[nH]c(=O)c23)nc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The InChIKey is HJZZDADFZSFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3S/c1-31(29,30)11-12-5-6-18(25-10-12)27-17-9-16(19-13(22)3-2-4-14(19)23)26-15-7-8-24-21(28)20(15)17/h2-10H,11H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 442.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 164882801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).