(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide

C24H33N3O3 — CID 38025514

IUPAC(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide
SMILESCN(CCc1ccccn1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1
InChIInChI=1S/C24H33N3O3/c1-26(16-13-20-10-6-7-15-25-20)17-14-21-11-12-22(28)23(30-21)24(29)27(2)18-19-8-4-3-5-9-19/h3-10,15,21-23,28H,11-14,16-18H2,1-2H3/t21-,22-,23-/m0/s1
InChIKeyQHNXBUKFMBDZSS-VABKMULXSA-N
MW411.55 g/mol
LogP2.51
Rot. Bonds9

About (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide

(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide (PubChem CID 38025514) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide
PubChem CID38025514
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide
SMILESCN(CCc1ccccn1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1
InChIInChI=1S/C24H33N3O3/c1-26(16-13-20-10-6-7-15-25-20)17-14-21-11-12-22(28)23(30-21)24(29)27(2)18-19-8-4-3-5-9-19/h3-10,15,21-23,28H,11-14,16-18H2,1-2H3/t21-,22-,23-/m0/s1
InChIKeyQHNXBUKFMBDZSS-VABKMULXSA-N
XLogP2.51
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,6R)-N-benzyl-6-[2-[benzyl(methyl)amino]ethyl]-3-hydroxy-N-methyloxane-2-carboxamide
CID 163156617
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]oxane-2-carboxamide
CID 38025535
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide
CID 163141781
(2R,3S,6S)-N-benzyl-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-hydroxy-N-methyloxane-2-carboxamide
CID 163141301
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide
CID 163163544
N-[[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62419597
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide (CID 38025514) is (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide is CN(CCc1ccccn1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1.
What is the InChIKey of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide?
The InChIKey is QHNXBUKFMBDZSS-VABKMULXSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-26(16-13-20-10-6-7-15-25-20)17-14-21-11-12-22(28)23(30-21)24(29)27(2)18-19-8-4-3-5-9-19/h3-10,15,21-23,28H,11-14,16-18H2,1-2H3/t21-,22-,23-/m0/s1.
What are the key properties of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide?
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 38025514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).