4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid

C15H17N3O2 — CID 106760088

IUPAC4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccccc2N(C)C)c(C(=O)O)cn1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(9-16-10)15(19)20)17-12-6-4-5-7-14(12)18(2)3/h4-9H,1-3H3,(H,16,17)(H,19,20)
InChIKeyOBLUIQUYHRFKCO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds4

About 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid

4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid (PubChem CID 106760088) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
PubChem CID106760088
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccccc2N(C)C)c(C(=O)O)cn1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(9-16-10)15(19)20)17-12-6-4-5-7-14(12)18(2)3/h4-9H,1-3H3,(H,16,17)(H,19,20)
InChIKeyOBLUIQUYHRFKCO-UHFFFAOYSA-N
XLogP2.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid (CID 106760088) is 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2ccccc2N(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is OBLUIQUYHRFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-13(11(9-16-10)15(19)20)17-12-6-4-5-7-14(12)18(2)3/h4-9H,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid?
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106760088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).