6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid

C16H18N2O4 — CID 94313799

IUPAC6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)O)c(N(C)C)n2)c1
InChIInChI=1S/C16H18N2O4/c1-18(2)15-11(16(19)20)6-7-13(17-15)12-9-10(21-3)5-8-14(12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyZYJGNLARJMYVMB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.53
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid

6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid (PubChem CID 94313799) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
PubChem CID94313799
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)O)c(N(C)C)n2)c1
InChIInChI=1S/C16H18N2O4/c1-18(2)15-11(16(19)20)6-7-13(17-15)12-9-10(21-3)5-8-14(12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyZYJGNLARJMYVMB-UHFFFAOYSA-N
XLogP2.53
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride
CID 174676062
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357020
4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826014
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 42110055

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid (CID 94313799) is 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid is COc1ccc(OC)c(-c2ccc(C(=O)O)c(N(C)C)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid?
The InChIKey is ZYJGNLARJMYVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18(2)15-11(16(19)20)6-7-13(17-15)12-9-10(21-3)5-8-14(12)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid?
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 94313799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).