[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone

C19H29N3O3 — CID 97463759

IUPAC[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
SMILESCN(C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C19H29N3O3/c1-21(2)7-10-25-14-17-12-20-11-16-13-22(6-3-18(16)17)19(23)15-4-8-24-9-5-15/h11-12,15H,3-10,13-14H2,1-2H3
InChIKeyNYRVPXSHYWAMJC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.47
Rot. Bonds6

About [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone

[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone (PubChem CID 97463759) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
PubChem CID97463759
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
SMILESCN(C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C19H29N3O3/c1-21(2)7-10-25-14-17-12-20-11-16-13-22(6-3-18(16)17)19(23)15-4-8-24-9-5-15/h11-12,15H,3-10,13-14H2,1-2H3
InChIKeyNYRVPXSHYWAMJC-UHFFFAOYSA-N
XLogP1.47
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-({[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]oxy}methyl)pyridine
CID 70770300
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
CID 97381966
5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 97406097
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463756
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
CID 97463788
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463797
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463841
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 118747168
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746538
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746543
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747164
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
CID 97406094

Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone (CID 97463759) is [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone is CN(C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2.
What is the InChIKey of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The InChIKey is NYRVPXSHYWAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(2)7-10-25-14-17-12-20-11-16-13-22(6-3-18(16)17)19(23)15-4-8-24-9-5-15/h11-12,15H,3-10,13-14H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 97463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).