2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid

C20H20N4O2 — CID 56752214

IUPAC2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncccc1CNc1ncccc1C(=O)O
InChIInChI=1S/C20H20N4O2/c1-24(14-15-7-3-2-4-8-15)19-16(9-5-12-22-19)13-23-18-17(20(25)26)10-6-11-21-18/h2-12H,13-14H2,1H3,(H,21,23)(H,25,26)
InChIKeyQWMJNJLIKYURER-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.42
Rot. Bonds7

About 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid

2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid (PubChem CID 56752214) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid
PubChem CID56752214
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncccc1CNc1ncccc1C(=O)O
InChIInChI=1S/C20H20N4O2/c1-24(14-15-7-3-2-4-8-15)19-16(9-5-12-22-19)13-23-18-17(20(25)26)10-6-11-21-18/h2-12H,13-14H2,1H3,(H,21,23)(H,25,26)
InChIKeyQWMJNJLIKYURER-UHFFFAOYSA-N
XLogP3.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid (CID 56752214) is 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1)c1ncccc1CNc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid?
The InChIKey is QWMJNJLIKYURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(14-15-7-3-2-4-8-15)19-16(9-5-12-22-19)13-23-18-17(20(25)26)10-6-11-21-18/h2-12H,13-14H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid?
2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(methyl)amino]-3-pyridinyl]methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 56752214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).