(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide

C21H33N3O3 — CID 163163544

IUPAC(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide
SMILESCN(CC[C@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1
InChIInChI=1S/C21H33N3O3/c1-24(15-16-6-5-12-22-14-16)13-11-18-9-10-19(25)20(27-18)21(26)23-17-7-3-2-4-8-17/h5-6,12,14,17-20,25H,2-4,7-11,13,15H2,1H3,(H,23,26)/t18-,19+,20+/m1/s1
InChIKeyRVSVDDLHJYAACK-AABGKKOBSA-N
MW375.51 g/mol
LogP2.26
Rot. Bonds7

About (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide

(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide (PubChem CID 163163544) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide
PubChem CID163163544
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide
SMILESCN(CC[C@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1
InChIInChI=1S/C21H33N3O3/c1-24(15-16-6-5-12-22-14-16)13-11-18-9-10-19(25)20(27-18)21(26)23-17-7-3-2-4-8-17/h5-6,12,14,17-20,25H,2-4,7-11,13,15H2,1H3,(H,23,26)/t18-,19+,20+/m1/s1
InChIKeyRVSVDDLHJYAACK-AABGKKOBSA-N
XLogP2.26
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide with MolForge

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Related Compounds

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N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide
CID 38025514
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 79569163
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
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CID 95968149
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
1-(2-cyanoethyl)-3-cyclohexyl-1-(pyridin-3-ylmethyl)thiourea
CID 3968740
3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 3615223
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide?
The IUPAC name of (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide (CID 163163544) is (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide is CN(CC[C@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1.
What is the InChIKey of (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide?
The InChIKey is RVSVDDLHJYAACK-AABGKKOBSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-24(15-16-6-5-12-22-14-16)13-11-18-9-10-19(25)20(27-18)21(26)23-17-7-3-2-4-8-17/h5-6,12,14,17-20,25H,2-4,7-11,13,15H2,1H3,(H,23,26)/t18-,19+,20+/m1/s1.
What are the key properties of (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide?
(2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-N-cyclohexyl-3-hydroxy-6-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 163163544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).