(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide

C17H28N4O2 — CID 119846586

IUPAC(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn2)CCO1
InChIInChI=1S/C17H28N4O2/c1-12-11-21(7-8-23-12)14-6-5-13(9-19-14)10-20-16(22)15(18)17(2,3)4/h5-6,9,12,15H,7-8,10-11,18H2,1-4H3,(H,20,22)/t12?,15-/m1/s1
InChIKeyWENDKAWEKTVWNO-WPZCJLIBSA-N
MW320.44 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 119846586) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
PubChem CID119846586
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn2)CCO1
InChIInChI=1S/C17H28N4O2/c1-12-11-21(7-8-23-12)14-6-5-13(9-19-14)10-20-16(22)15(18)17(2,3)4/h5-6,9,12,15H,7-8,10-11,18H2,1-4H3,(H,20,22)/t12?,15-/m1/s1
InChIKeyWENDKAWEKTVWNO-WPZCJLIBSA-N
XLogP1.30
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48857690
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
3-amino-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119846574
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide (CID 119846586) is (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide is CC1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn2)CCO1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is WENDKAWEKTVWNO-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-11-21(7-8-23-12)14-6-5-13(9-19-14)10-20-16(22)15(18)17(2,3)4/h5-6,9,12,15H,7-8,10-11,18H2,1-4H3,(H,20,22)/t12?,15-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119846586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).