[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

C17H23N3O2 — CID 131689721

IUPAC[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCN(C)Cc1cncc2c1CCN(C(=O)C1[C@H]3COC[C@@H]13)C2
InChIInChI=1S/C17H23N3O2/c1-19(2)7-11-5-18-6-12-8-20(4-3-13(11)12)17(21)16-14-9-22-10-15(14)16/h5-6,14-16H,3-4,7-10H2,1-2H3/t14-,15+,16?
InChIKeyNUBLNTJRGFQGAW-XYPWUTKMSA-N
MW301.39 g/mol
LogP0.92
Rot. Bonds3

About [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 131689721) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID131689721
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCN(C)Cc1cncc2c1CCN(C(=O)C1[C@H]3COC[C@@H]13)C2
InChIInChI=1S/C17H23N3O2/c1-19(2)7-11-5-18-6-12-8-20(4-3-13(11)12)17(21)16-14-9-22-10-15(14)16/h5-6,14-16H,3-4,7-10H2,1-2H3/t14-,15+,16?
InChIKeyNUBLNTJRGFQGAW-XYPWUTKMSA-N
XLogP0.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone with MolForge

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Related Compounds

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 97389711
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689696
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
CID 155841271
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 171697264
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
CID 83832573
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
CID 131689608
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (CID 131689721) is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is CN(C)Cc1cncc2c1CCN(C(=O)C1[C@H]3COC[C@@H]13)C2.
What is the InChIKey of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is NUBLNTJRGFQGAW-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(2)7-11-5-18-6-12-8-20(4-3-13(11)12)17(21)16-14-9-22-10-15(14)16/h5-6,14-16H,3-4,7-10H2,1-2H3/t14-,15+,16?.
What are the key properties of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 131689721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).