ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid

C27H32N2O3 — CID 144656426

IUPACethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1ccncc1NCC1CCCc2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C25H26N2O3.C2H6/c28-25(29)23-11-13-26-17-24(23)27-16-20-8-4-7-19-15-21(9-10-22(19)20)30-14-12-18-5-2-1-3-6-18;1-2/h1-3,5-6,9-11,13,15,17,20,27H,4,7-8,12,14,16H2,(H,28,29);1-2H3
InChIKeyALBVYXJFDIRSDK-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.96
Rot. Bonds8

About ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid

ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid (PubChem CID 144656426) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
PubChem CID144656426
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Nameethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1ccncc1NCC1CCCc2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C25H26N2O3.C2H6/c28-25(29)23-11-13-26-17-24(23)27-16-20-8-4-7-19-15-21(9-10-22(19)20)30-14-12-18-5-2-1-3-6-18;1-2/h1-3,5-6,9-11,13,15,17,20,27H,4,7-8,12,14,16H2,(H,28,29);1-2H3
InChIKeyALBVYXJFDIRSDK-UHFFFAOYSA-N
XLogP5.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104943
3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 118597670
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
3-[(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104942
3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315093
3-[[(1R)-6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118606594
3-[[(1R)-6-(4-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315090
3-[[(1R)-6-[(6-methoxy-3-pyridinyl)-methylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118597921
methyl 3-[[(1S)-6-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598098
ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 144987205
3-[[(1R)-5-(N-methylanilino)-2,3-dihydro-1H-inden-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118597580

Frequently Asked Questions

What is the IUPAC name of ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid (CID 144656426) is ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid is CC.O=C(O)c1ccncc1NCC1CCCc2cc(OCCc3ccccc3)ccc21.
What is the InChIKey of ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is ALBVYXJFDIRSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3.C2H6/c28-25(29)23-11-13-26-17-24(23)27-16-20-8-4-7-19-15-21(9-10-22(19)20)30-14-12-18-5-2-1-3-6-18;1-2/h1-3,5-6,9-11,13,15,17,20,27H,4,7-8,12,14,16H2,(H,28,29);1-2H3.
What are the key properties of ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid?
ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 432.56 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144656426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).