3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C18H19N5O3 — CID 138383070

IUPAC3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ncc2c(c1C#N)CCN(C(=O)c1cc(N3CCOCC3)no1)C2
InChIInChI=1S/C18H19N5O3/c1-12-15(9-19)14-2-3-23(11-13(14)10-20-12)18(24)16-8-17(21-26-16)22-4-6-25-7-5-22/h8,10H,2-7,11H2,1H3
InChIKeyLYSKFIQSUFHKLT-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.28
Rot. Bonds2

About 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 138383070) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID138383070
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ncc2c(c1C#N)CCN(C(=O)c1cc(N3CCOCC3)no1)C2
InChIInChI=1S/C18H19N5O3/c1-12-15(9-19)14-2-3-23(11-13(14)10-20-12)18(24)16-8-17(21-26-16)22-4-6-25-7-5-22/h8,10H,2-7,11H2,1H3
InChIKeyLYSKFIQSUFHKLT-UHFFFAOYSA-N
XLogP1.28
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 46984766
[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138810204
2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 138378613
3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 162636669
3-methyl-7-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 47000558
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86264689
2-(5-cyano-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 50984027
3-methyl-7-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 50957258
tert-butyl 6-morpholin-4-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 132821970
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138385868
1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
CID 28739588

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 138383070) is 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is Cc1ncc2c(c1C#N)CCN(C(=O)c1cc(N3CCOCC3)no1)C2.
What is the InChIKey of 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is LYSKFIQSUFHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-15(9-19)14-2-3-23(11-13(14)10-20-12)18(24)16-8-17(21-26-16)22-4-6-25-7-5-22/h8,10H,2-7,11H2,1H3.
What are the key properties of 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 138383070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).