2-(N-methylanilino)pyridine-3-carboxylic acid

C130H120N20O20 — CID 139145304

IUPAC2-(N-methylanilino)pyridine-3-carboxylic acid
SMILESCN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O
InChIInChI=1S/10C13H12N2O2/c10*1-15(10-6-3-2-4-7-10)12-11(13(16)17)8-5-9-14-12/h10*2-9H,1H3,(H,16,17)
InChIKeySCUDODZVVVJFHK-UHFFFAOYSA-N
MW2282.51 g/mol
LogP25.48
Rot. Bonds30

About 2-(N-methylanilino)pyridine-3-carboxylic acid

2-(N-methylanilino)pyridine-3-carboxylic acid (PubChem CID 139145304) has the molecular formula C130H120N20O20 and a molecular weight of 2282.51 g/mol. Its IUPAC name is 2-(N-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(N-methylanilino)pyridine-3-carboxylic acid
PubChem CID139145304
Molecular FormulaC130H120N20O20
Molecular Weight2282.51 g/mol
Exact Mass2280.90
IUPAC Name2-(N-methylanilino)pyridine-3-carboxylic acid
SMILESCN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O
InChIInChI=1S/10C13H12N2O2/c10*1-15(10-6-3-2-4-7-10)12-11(13(16)17)8-5-9-14-12/h10*2-9H,1H3,(H,16,17)
InChIKeySCUDODZVVVJFHK-UHFFFAOYSA-N
XLogP25.48
TPSA534.30 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.51
LogP ≤ 525.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

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Related Compounds

3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
CID 155133935
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
CID 43296968
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
CID 119078369
CID 119078369
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
CID 138490291
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(N-methylanilino)pyridine-3-carboxylic acid (CID 139145304) is 2-(N-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(N-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(N-methylanilino)pyridine-3-carboxylic acid is CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.CN(c1ccccc1)c1ncccc1C(=O)O.
What is the InChIKey of 2-(N-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is SCUDODZVVVJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/10C13H12N2O2/c10*1-15(10-6-3-2-4-7-10)12-11(13(16)17)8-5-9-14-12/h10*2-9H,1H3,(H,16,17).
What are the key properties of 2-(N-methylanilino)pyridine-3-carboxylic acid?
2-(N-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 2282.51 g/mol, XLogP of 25.48, 30 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 139145304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).