N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide

C18H27N3O3 — CID 97463797

IUPACN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C18H27N3O3/c1-20(2)18(22)13-24-12-15-10-19-9-14-11-21(6-3-17(14)15)16-4-7-23-8-5-16/h9-10,16H,3-8,11-13H2,1-2H3
InChIKeyNEGUKHQVQXPTGM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.22
Rot. Bonds5

About N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide

N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide (PubChem CID 97463797) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
PubChem CID97463797
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C18H27N3O3/c1-20(2)18(22)13-24-12-15-10-19-9-14-11-21(6-3-17(14)15)16-4-7-23-8-5-16/h9-10,16H,3-8,11-13H2,1-2H3
InChIKeyNEGUKHQVQXPTGM-UHFFFAOYSA-N
XLogP1.22
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide (CID 97463797) is N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide is CN(C)C(=O)COCc1cncc2c1CCN(C1CCOCC1)C2.
What is the InChIKey of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide?
The InChIKey is NEGUKHQVQXPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)18(22)13-24-12-15-10-19-9-14-11-21(6-3-17(14)15)16-4-7-23-8-5-16/h9-10,16H,3-8,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide?
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide is sourced from PubChem (CID 97463797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).