4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid

C32H34N2O3 — CID 176970362

IUPAC4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid
SMILESC=C1CC=C(CCNc2ccc(C(=O)O)cc2OC)N=C1c1ccc2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C32H34N2O3/c1-21-8-14-28(16-17-33-29-15-13-27(32(35)36)20-30(29)37-2)34-31(21)26-12-11-24-18-23(9-10-25(24)19-26)22-6-4-3-5-7-22/h9-15,18-20,22,33H,1,3-8,16-17H2,2H3,(H,35,36)
InChIKeyNLEYMAGFUNWBKT-UHFFFAOYSA-N
MW494.64 g/mol
LogP7.73
Rot. Bonds8

About 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid

4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid (PubChem CID 176970362) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid
PubChem CID176970362
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid
SMILESC=C1CC=C(CCNc2ccc(C(=O)O)cc2OC)N=C1c1ccc2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C32H34N2O3/c1-21-8-14-28(16-17-33-29-15-13-27(32(35)36)20-30(29)37-2)34-31(21)26-12-11-24-18-23(9-10-25(24)19-26)22-6-4-3-5-7-22/h9-15,18-20,22,33H,1,3-8,16-17H2,2H3,(H,35,36)
InChIKeyNLEYMAGFUNWBKT-UHFFFAOYSA-N
XLogP7.73
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid with MolForge

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Related Compounds

4-[[2-(4-cyclohexylphenyl)-1,3-thiazol-5-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476656
4-[[2-(4-cyclohexylphenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167475401
4-[[4-(4-cyclohexylphenyl)-1,3-dihydroisoindol-2-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476156
4-[[2-(3-cyclohexylphenyl)-1,3-thiazol-4-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476127
4-[[2-[7-(4,4-difluorocyclohexyl)naphthalen-2-yl]-1,3-thiazol-4-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476384
4-[[2-[7-(4,4-difluorocyclohexyl)naphthalen-2-yl]-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167476058
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
3-methoxy-4-[[2-[4-(4-phenylcyclohexyl)phenyl]-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167475722
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-3-methoxybenzoic acid
CID 146138133
4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
CID 138532432
6-[3-(2-carboxyethyl)-6-cyclohexyl-2-methoxyphenyl]naphthalene-2-carboxylic acid
CID 175244417

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid?
The IUPAC name of 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid (CID 176970362) is 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid?
The canonical SMILES for 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid is C=C1CC=C(CCNc2ccc(C(=O)O)cc2OC)N=C1c1ccc2cc(C3CCCCC3)ccc2c1.
What is the InChIKey of 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid?
The InChIKey is NLEYMAGFUNWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-21-8-14-28(16-17-33-29-15-13-27(32(35)36)20-30(29)37-2)34-31(21)26-12-11-24-18-23(9-10-25(24)19-26)22-6-4-3-5-7-22/h9-15,18-20,22,33H,1,3-8,16-17H2,2H3,(H,35,36).
What are the key properties of 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid?
4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid has a molecular weight of 494.64 g/mol, XLogP of 7.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(6-cyclohexylnaphthalen-2-yl)-5-methylidene-4H-pyridin-2-yl]ethylamino]-3-methoxybenzoic acid is sourced from PubChem (CID 176970362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).