(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide

C18H29N3O3 — CID 94800842

IUPAC(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1ncccc1CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H29N3O3/c1-12(2)16(21-10-13(3)24-14(4)11-21)17(22)20-9-15-7-6-8-19-18(15)23-5/h6-8,12-14,16H,9-11H2,1-5H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyKRFQYHLRLVLTNM-FMKPAKJESA-N
MW335.45 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 94800842) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
PubChem CID94800842
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1ncccc1CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H29N3O3/c1-12(2)16(21-10-13(3)24-14(4)11-21)17(22)20-9-15-7-6-8-19-18(15)23-5/h6-8,12-14,16H,9-11H2,1-5H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyKRFQYHLRLVLTNM-FMKPAKJESA-N
XLogP1.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 98718274
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 98750563
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 100842764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide (CID 94800842) is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide is COc1ncccc1CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is KRFQYHLRLVLTNM-FMKPAKJESA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)16(21-10-13(3)24-14(4)11-21)17(22)20-9-15-7-6-8-19-18(15)23-5/h6-8,12-14,16H,9-11H2,1-5H3,(H,20,22)/t13-,14-,16+/m1/s1.
What are the key properties of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 335.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 94800842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).