1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one

C12H16N2O — CID 83832573

IUPAC1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
SMILESCC(=O)Cc1cncc2c1CCN(C)C2
InChIInChI=1S/C12H16N2O/c1-9(15)5-10-6-13-7-11-8-14(2)4-3-12(10)11/h6-7H,3-5,8H2,1-2H3
InChIKeyYZYSYVIYOWZREU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.20
Rot. Bonds2

About 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one

1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one (PubChem CID 83832573) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
PubChem CID83832573
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
SMILESCC(=O)Cc1cncc2c1CCN(C)C2
InChIInChI=1S/C12H16N2O/c1-9(15)5-10-6-13-7-11-8-14(2)4-3-12(10)11/h6-7H,3-5,8H2,1-2H3
InChIKeyYZYSYVIYOWZREU-UHFFFAOYSA-N
XLogP1.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
7-methyl-N-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530216
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97381920
1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 141368938
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]-morpholin-4-ylmethanone
CID 97389711
7-methyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530338
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
CID 131689608
[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
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one?
The IUPAC name of 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one (CID 83832573) is 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one.
What is the SMILES notation for 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one?
The canonical SMILES for 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one is CC(=O)Cc1cncc2c1CCN(C)C2.
What is the InChIKey of 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one?
The InChIKey is YZYSYVIYOWZREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)5-10-6-13-7-11-8-14(2)4-3-12(10)11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one?
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one is sourced from PubChem (CID 83832573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).