6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one

C19H20N2O3 — CID 170506178

IUPAC6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C19H20N2O3/c1-12-10-16(13-4-2-5-13)24-19(23)17(12)18(22)21-9-7-15-14(11-21)6-3-8-20-15/h3,6,8,10,13H,2,4-5,7,9,11H2,1H3
InChIKeySITGDCUYZQXQHW-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.81
Rot. Bonds2

About 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one

6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one (PubChem CID 170506178) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
PubChem CID170506178
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C19H20N2O3/c1-12-10-16(13-4-2-5-13)24-19(23)17(12)18(22)21-9-7-15-14(11-21)6-3-8-20-15/h3,6,8,10,13H,2,4-5,7,9,11H2,1H3
InChIKeySITGDCUYZQXQHW-UHFFFAOYSA-N
XLogP2.81
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-3-[4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-4-methylpyran-2-one
CID 170509181
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
CID 170509556
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
CID 171710974
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
3-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170505702
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one?
The IUPAC name of 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one (CID 170506178) is 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one.
What is the SMILES notation for 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one?
The canonical SMILES for 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCc2ncccc2C1.
What is the InChIKey of 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one?
The InChIKey is SITGDCUYZQXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-10-16(13-4-2-5-13)24-19(23)17(12)18(22)21-9-7-15-14(11-21)6-3-8-20-15/h3,6,8,10,13H,2,4-5,7,9,11H2,1H3.
What are the key properties of 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one?
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one is sourced from PubChem (CID 170506178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).