4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C18H23NO4 — CID 54688846

IUPAC4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOc1ccc2c(c1)C(CN1CCC(O)=C(C(=O)O)C1)CCC2
InChIInChI=1S/C18H23NO4/c1-23-14-6-5-12-3-2-4-13(15(12)9-14)10-19-8-7-17(20)16(11-19)18(21)22/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeySNUSEVMDSZHJOD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.72
Rot. Bonds4

About 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 54688846) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID54688846
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOc1ccc2c(c1)C(CN1CCC(O)=C(C(=O)O)C1)CCC2
InChIInChI=1S/C18H23NO4/c1-23-14-6-5-12-3-2-4-13(15(12)9-14)10-19-8-7-17(20)16(11-19)18(21)22/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeySNUSEVMDSZHJOD-UHFFFAOYSA-N
XLogP2.72
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 70358137
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23044238
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
CID 159114747
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine
CID 134242961
4-hydroxy-1-[2-(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 54688845
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 54688846) is 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is COc1ccc2c(c1)C(CN1CCC(O)=C(C(=O)O)C1)CCC2.
What is the InChIKey of 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is SNUSEVMDSZHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-23-14-6-5-12-3-2-4-13(15(12)9-14)10-19-8-7-17(20)16(11-19)18(21)22/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 54688846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).