N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide

C18H30N4O3 — CID 118036906

IUPACN-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOC(OC)c1nc2c(cc1CN(CCN(C)C)C(C)=O)CCCN2
InChIInChI=1S/C18H30N4O3/c1-13(23)22(10-9-21(2)3)12-15-11-14-7-6-8-19-17(14)20-16(15)18(24-4)25-5/h11,18H,6-10,12H2,1-5H3,(H,19,20)
InChIKeyHQMCZESUZXMUCK-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.64
Rot. Bonds8

About N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide

N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 118036906) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID118036906
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOC(OC)c1nc2c(cc1CN(CCN(C)C)C(C)=O)CCCN2
InChIInChI=1S/C18H30N4O3/c1-13(23)22(10-9-21(2)3)12-15-11-14-7-6-8-19-17(14)20-16(15)18(24-4)25-5/h11,18H,6-10,12H2,1-5H3,(H,19,20)
InChIKeyHQMCZESUZXMUCK-UHFFFAOYSA-N
XLogP1.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 118036906) is N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide is COC(OC)c1nc2c(cc1CN(CCN(C)C)C(C)=O)CCCN2.
What is the InChIKey of N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is HQMCZESUZXMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-13(23)22(10-9-21(2)3)12-15-11-14-7-6-8-19-17(14)20-16(15)18(24-4)25-5/h11,18H,6-10,12H2,1-5H3,(H,19,20).
What are the key properties of N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 118036906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).