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

C14H15N3O2 — CID 82482899

IUPAC5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(9-10-5-3-2-4-6-10)13-12(14(18)19)7-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,18,19)
InChIKeyUTIVXPGVXGYNIZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.00
Rot. Bonds4

About 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid

5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 82482899) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID82482899
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(9-10-5-3-2-4-6-10)13-12(14(18)19)7-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,18,19)
InChIKeyUTIVXPGVXGYNIZ-UHFFFAOYSA-N
XLogP2.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
CID 62983154
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84604433
2-[benzyl(methyl)amino]-5-[(2,4,6-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056639
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024608
2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024612
5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
CID 165482356
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid (CID 82482899) is 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid is CN(Cc1ccccc1)c1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UTIVXPGVXGYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(9-10-5-3-2-4-6-10)13-12(14(18)19)7-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid?
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 82482899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).