4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid

C15H16N2O5 — CID 146673906

IUPAC4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1cc(Nc2ccnc(C(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O5/c1-20-12-7-10(8-13(21-2)14(12)22-3)17-9-4-5-16-11(6-9)15(18)19/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCLHWSQCQENMRED-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.55
Rot. Bonds6

About 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid

4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid (PubChem CID 146673906) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
PubChem CID146673906
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1cc(Nc2ccnc(C(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O5/c1-20-12-7-10(8-13(21-2)14(12)22-3)17-9-4-5-16-11(6-9)15(18)19/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCLHWSQCQENMRED-UHFFFAOYSA-N
XLogP2.55
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 135186665
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 67171025
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid (CID 146673906) is 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid is COc1cc(Nc2ccnc(C(=O)O)c2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is CLHWSQCQENMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-20-12-7-10(8-13(21-2)14(12)22-3)17-9-4-5-16-11(6-9)15(18)19/h4-8H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid?
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 146673906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).