[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol

C20H26N2O3 — CID 155313925

IUPAC[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
SMILESCCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(O)O
InChIInChI=1S/C20H26N2O3/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/h6-9,11,13,15,20,22-24H,2-5,10,12H2,1H3
InChIKeyDXOXDPUYUUMJJG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.39
Rot. Bonds7

About [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol

[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol (PubChem CID 155313925) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol.

Molecular Properties

Compound Name[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
PubChem CID155313925
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
SMILESCCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(O)O
InChIInChI=1S/C20H26N2O3/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/h6-9,11,13,15,20,22-24H,2-5,10,12H2,1H3
InChIKeyDXOXDPUYUUMJJG-UHFFFAOYSA-N
XLogP3.39
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 118597670
ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 144656426
3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde
CID 144656444
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
(1S)-1-[4-[[(5R)-5-[[[4-[hydroxy(methoxy)methyl]-3-pyridinyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-methylamino]phenyl]ethanol
CID 126657164
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
methyl 3-[[(1S)-6-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598098
methyl 3-[[(1R)-6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118597825
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

Frequently Asked Questions

What is the IUPAC name of [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol?
The IUPAC name of [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol (CID 155313925) is [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol.
What is the SMILES notation for [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol?
The canonical SMILES for [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol is CCCOc1ccc2c(c1)CCCC2CNc1cnccc1C(O)O.
What is the InChIKey of [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol?
The InChIKey is DXOXDPUYUUMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/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/h6-9,11,13,15,20,22-24H,2-5,10,12H2,1H3.
What are the key properties of [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol?
[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol has a molecular weight of 342.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol is sourced from PubChem (CID 155313925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).