3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C23H24N4O3 — CID 162636669

IUPAC3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCc3c(cnc(C)c3C#N)C2)OCC(=O)N1C
InChIInChI=1S/C23H24N4O3/c1-14-6-4-5-7-17(14)21-22(30-13-20(28)26(21)3)23(29)27-9-8-18-16(12-27)11-25-15(2)19(18)10-24/h4-7,11,21-22H,8-9,12-13H2,1-3H3/t21-,22+/m1/s1
InChIKeyJMUZFBVDSBFRAD-YADHBBJMSA-N
MW404.47 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 162636669) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID162636669
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCc3c(cnc(C)c3C#N)C2)OCC(=O)N1C
InChIInChI=1S/C23H24N4O3/c1-14-6-4-5-7-17(14)21-22(30-13-20(28)26(21)3)23(29)27-9-8-18-16(12-27)11-25-15(2)19(18)10-24/h4-7,11,21-22H,8-9,12-13H2,1-3H3/t21-,22+/m1/s1
InChIKeyJMUZFBVDSBFRAD-YADHBBJMSA-N
XLogP2.05
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
CID 134714584
acetic acid;(5R,6S)-6-(4-aminopiperidine-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 154913234
(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134698034
4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134703529
methyl (1S,5R)-3-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 162633244
acetic acid;(5R,6S)-6-(1,4-diazepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 154914076
3-(2-cyanophenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114018048
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134711395
5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 46984766
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281032
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 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) is 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCc3c(cnc(C)c3C#N)C2)OCC(=O)N1C.
What is the InChIKey of 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is JMUZFBVDSBFRAD-YADHBBJMSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-6-4-5-7-17(14)21-22(30-13-20(28)26(21)3)23(29)27-9-8-18-16(12-27)11-25-15(2)19(18)10-24/h4-7,11,21-22H,8-9,12-13H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 404.47 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 162636669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).