6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid

C25H22N2O2 — CID 91970654

IUPAC6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
SMILESC[C@@H](NCc1ccc(-c2ccc(C(=O)O)cn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyYZNXMOIDDMETFM-QGZVFWFLSA-N
MW382.46 g/mol
LogP5.45
Rot. Bonds6

About 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid

6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 91970654) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
PubChem CID91970654
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
SMILESC[C@@H](NCc1ccc(-c2ccc(C(=O)O)cn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyYZNXMOIDDMETFM-QGZVFWFLSA-N
XLogP5.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid (CID 91970654) is 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid is C[C@@H](NCc1ccc(-c2ccc(C(=O)O)cn2)cc1)c1cccc2ccccc12.
What is the InChIKey of 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is YZNXMOIDDMETFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/m1/s1.
What are the key properties of 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid?
6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 91970654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).