N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide

C20H19Cl2N3O2 — CID 59833815

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2cc3cnccc3n(C)c2=O)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-11(2)8-17(26)24-15-5-4-14(21)18(19(15)22)13-9-12-10-23-7-6-16(12)25(3)20(13)27/h4-7,9-11H,8H2,1-3H3,(H,24,26)
InChIKeyXDSIJFODUUQQSE-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.89
Rot. Bonds4

About N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide (PubChem CID 59833815) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
PubChem CID59833815
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2cc3cnccc3n(C)c2=O)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-11(2)8-17(26)24-15-5-4-14(21)18(19(15)22)13-9-12-10-23-7-6-16(12)25(3)20(13)27/h4-7,9-11H,8H2,1-3H3,(H,24,26)
InChIKeyXDSIJFODUUQQSE-UHFFFAOYSA-N
XLogP4.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide (CID 59833815) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Cl)c(-c2cc3cnccc3n(C)c2=O)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide?
The InChIKey is XDSIJFODUUQQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-11(2)8-17(26)24-15-5-4-14(21)18(19(15)22)13-9-12-10-23-7-6-16(12)25(3)20(13)27/h4-7,9-11H,8H2,1-3H3,(H,24,26).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide has a molecular weight of 404.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 59833815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).