4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one

C21H24N4O3 — CID 134258764

IUPAC4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(N)C1
InChIInChI=1S/C21H24N4O3/c1-24-11-17(15-4-5-23-8-16(15)21(24)26)13-6-19(27-2)18(20(7-13)28-3)12-25-9-14(22)10-25/h4-8,11,14H,9-10,12,22H2,1-3H3
InChIKeyKRODMTULVCWRSC-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.76
Rot. Bonds5

About 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one

4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 134258764) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID134258764
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(N)C1
InChIInChI=1S/C21H24N4O3/c1-24-11-17(15-4-5-23-8-16(15)21(24)26)13-6-19(27-2)18(20(7-13)28-3)12-25-9-14(22)10-25/h4-8,11,14H,9-10,12,22H2,1-3H3
InChIKeyKRODMTULVCWRSC-UHFFFAOYSA-N
XLogP1.76
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one (CID 134258764) is 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(N)C1.
What is the InChIKey of 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is KRODMTULVCWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24-11-17(15-4-5-23-8-16(15)21(24)26)13-6-19(27-2)18(20(7-13)28-3)12-25-9-14(22)10-25/h4-8,11,14H,9-10,12,22H2,1-3H3.
What are the key properties of 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 380.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 134258764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).