trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide

C16H24N2O3 — CID 100775479

IUPACtrans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-16(9-11,21-4)15(19)18-13-8-12(2)14(20-3)17-10-13/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)/t11-,16+/m1/s1
InChIKeyDTVZIIUIURRLOY-BZNIZROVSA-N
MW292.38 g/mol
LogP2.93
Rot. Bonds4

About trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide

trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 100775479) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
PubChem CID100775479
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametrans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-16(9-11,21-4)15(19)18-13-8-12(2)14(20-3)17-10-13/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)/t11-,16+/m1/s1
InChIKeyDTVZIIUIURRLOY-BZNIZROVSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide (CID 100775479) is trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide is COc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C.
What is the InChIKey of trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is DTVZIIUIURRLOY-BZNIZROVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-6-5-7-16(9-11,21-4)15(19)18-13-8-12(2)14(20-3)17-10-13/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)/t11-,16+/m1/s1.
What are the key properties of trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100775479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).