(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide

C19H31N3O3 — CID 95977214

IUPAC(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
SMILESCc1cc(C)c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C19H31N3O3/c1-11(2)17(22-9-14(5)25-15(6)10-22)19(24)20-8-16-12(3)7-13(4)21-18(16)23/h7,11,14-15,17H,8-10H2,1-6H3,(H,20,24)(H,21,23)/t14-,15+,17-/m0/s1
InChIKeyFIJRITVIWGVLEF-UXLLHSPISA-N
MW349.48 g/mol
LogP1.74
Rot. Bonds5

About (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide

(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide (PubChem CID 95977214) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
PubChem CID95977214
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
SMILESCc1cc(C)c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C19H31N3O3/c1-11(2)17(22-9-14(5)25-15(6)10-22)19(24)20-8-16-12(3)7-13(4)21-18(16)23/h7,11,14-15,17H,8-10H2,1-6H3,(H,20,24)(H,21,23)/t14-,15+,17-/m0/s1
InChIKeyFIJRITVIWGVLEF-UXLLHSPISA-N
XLogP1.74
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide (CID 95977214) is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide is Cc1cc(C)c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1.
What is the InChIKey of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide?
The InChIKey is FIJRITVIWGVLEF-UXLLHSPISA-N. The full InChI is InChI=1S/C19H31N3O3/c1-11(2)17(22-9-14(5)25-15(6)10-22)19(24)20-8-16-12(3)7-13(4)21-18(16)23/h7,11,14-15,17H,8-10H2,1-6H3,(H,20,24)(H,21,23)/t14-,15+,17-/m0/s1.
What are the key properties of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide?
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide has a molecular weight of 349.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 95977214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).