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

C20H24N2O3 — CID 118597670

IUPAC3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-2-10-25-16-6-7-17-14(11-16)4-3-5-15(17)12-22-19-13-21-9-8-18(19)20(23)24/h6-9,11,13,15,22H,2-5,10,12H2,1H3,(H,23,24)
InChIKeyTZSHSOSZCHBYNW-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.10
Rot. Bonds7

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

3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 118597670) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID118597670
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-2-10-25-16-6-7-17-14(11-16)4-3-5-15(17)12-22-19-13-21-9-8-18(19)20(23)24/h6-9,11,13,15,22H,2-5,10,12H2,1H3,(H,23,24)
InChIKeyTZSHSOSZCHBYNW-UHFFFAOYSA-N
XLogP4.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 144656426
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104943
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
CID 155313925
3-[[(1R)-6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118606594
3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315093
3-[[(1R)-6-(4-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315090
3-[(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104942
3-[[(1R)-6-[(6-methoxy-3-pyridinyl)-methylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118597921
ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 144987205
methyl 3-[[(1S)-6-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598098

Frequently Asked Questions

What is the IUPAC name of 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (CID 118597670) is 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is CCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O.
What is the InChIKey of 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is TZSHSOSZCHBYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-10-25-16-6-7-17-14(11-16)4-3-5-15(17)12-22-19-13-21-9-8-18(19)20(23)24/h6-9,11,13,15,22H,2-5,10,12H2,1H3,(H,23,24).
What are the key properties of 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118597670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).