2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C20H19F2N3O2 — CID 169256654

IUPAC2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1cc(C(C)(C)C)c(F)c(F)c1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C20H19F2N3O2/c1-9-7-10(20(2,3)4)16(21)17(22)14(9)12-8-13(26)15-11(25-12)5-6-24-18(15)19(23)27/h5-8H,1-4H3,(H2,23,27)(H,25,26)
InChIKeyXOLFCJPBPKWIRR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.57
Rot. Bonds2

About 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256654) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256654
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1cc(C(C)(C)C)c(F)c(F)c1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C20H19F2N3O2/c1-9-7-10(20(2,3)4)16(21)17(22)14(9)12-8-13(26)15-11(25-12)5-6-24-18(15)19(23)27/h5-8H,1-4H3,(H2,23,27)(H,25,26)
InChIKeyXOLFCJPBPKWIRR-UHFFFAOYSA-N
XLogP3.57
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169256654) is 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1cc(C(C)(C)C)c(F)c(F)c1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is XOLFCJPBPKWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-9-7-10(20(2,3)4)16(21)17(22)14(9)12-8-13(26)15-11(25-12)5-6-24-18(15)19(23)27/h5-8H,1-4H3,(H2,23,27)(H,25,26).
What are the key properties of 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).