5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid

C15H17N3O3 — CID 81447512

IUPAC5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H17N3O3/c1-18(9-10-3-5-12(21-2)6-4-10)14-13(16)7-11(8-17-14)15(19)20/h3-8H,9,16H2,1-2H3,(H,19,20)
InChIKeyHVTYIOJMLUMNPD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.01
Rot. Bonds5

About 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid

5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 81447512) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID81447512
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H17N3O3/c1-18(9-10-3-5-12(21-2)6-4-10)14-13(16)7-11(8-17-14)15(19)20/h3-8H,9,16H2,1-2H3,(H,19,20)
InChIKeyHVTYIOJMLUMNPD-UHFFFAOYSA-N
XLogP2.01
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84604433
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
2-[chloro-[(4-methoxyphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 87576937

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid (CID 81447512) is 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid is COc1ccc(CN(C)c2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is HVTYIOJMLUMNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(9-10-3-5-12(21-2)6-4-10)14-13(16)7-11(8-17-14)15(19)20/h3-8H,9,16H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81447512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).