4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide

C26H28N2O3 — CID 54755721

IUPAC4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide
SMILESC=Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1
InChIInChI=1S/C26H28N2O3/c1-3-19-13-12-17(16-27-19)14-18-15-22(25(31-2)21-9-5-4-8-20(18)21)26(30)28-23-10-6-7-11-24(23)29/h3-5,8-9,12-13,15-16,23-24,29H,1,6-7,10-11,14H2,2H3,(H,28,30)/t23-,24-/m0/s1
InChIKeyWWPCZKMQGOUYMM-ZEQRLZLVSA-N
MW416.52 g/mol
LogP4.51
Rot. Bonds6

About 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide

4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide (PubChem CID 54755721) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide
PubChem CID54755721
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide
SMILESC=Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1
InChIInChI=1S/C26H28N2O3/c1-3-19-13-12-17(16-27-19)14-18-15-22(25(31-2)21-9-5-4-8-20(18)21)26(30)28-23-10-6-7-11-24(23)29/h3-5,8-9,12-13,15-16,23-24,29H,1,6-7,10-11,14H2,2H3,(H,28,30)/t23-,24-/m0/s1
InChIKeyWWPCZKMQGOUYMM-ZEQRLZLVSA-N
XLogP4.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide (CID 54755721) is 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide is C=Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1.
What is the InChIKey of 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide?
The InChIKey is WWPCZKMQGOUYMM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-19-13-12-17(16-27-19)14-18-15-22(25(31-2)21-9-5-4-8-20(18)21)26(30)28-23-10-6-7-11-24(23)29/h3-5,8-9,12-13,15-16,23-24,29H,1,6-7,10-11,14H2,2H3,(H,28,30)/t23-,24-/m0/s1.
What are the key properties of 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide?
4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethenyl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 54755721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).