(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide

C17H27N3O2 — CID 98750563

IUPAC(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)[C@H](C(=O)NCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H27N3O2/c1-12(2)16(20-10-13(3)22-14(4)11-20)17(21)19-9-15-7-5-6-8-18-15/h5-8,12-14,16H,9-11H2,1-4H3,(H,19,21)/t13-,14-,16-/m1/s1
InChIKeyHJCFZINQQXRZOA-IIAWOOMASA-N
MW305.42 g/mol
LogP1.83
Rot. Bonds5

About (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 98750563) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID98750563
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)[C@H](C(=O)NCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H27N3O2/c1-12(2)16(20-10-13(3)22-14(4)11-20)17(21)19-9-15-7-5-6-8-18-15/h5-8,12-14,16H,9-11H2,1-4H3,(H,19,21)/t13-,14-,16-/m1/s1
InChIKeyHJCFZINQQXRZOA-IIAWOOMASA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 94800842
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 100842764
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 52521080
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
CID 100842753
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
CID 95977214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 98750563) is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide is CC(C)[C@H](C(=O)NCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is HJCFZINQQXRZOA-IIAWOOMASA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)16(20-10-13(3)22-14(4)11-20)17(21)19-9-15-7-5-6-8-18-15/h5-8,12-14,16H,9-11H2,1-4H3,(H,19,21)/t13-,14-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 98750563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).