5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid

C17H18N2O6 — CID 175285325

IUPAC5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1c(NCc2ccc(OC)cc2OC)cncc1C(=O)O
InChIInChI=1S/C17H18N2O6/c1-23-11-5-4-10(14(6-11)24-2)7-19-13-9-18-8-12(16(20)21)15(13)17(22)25-3/h4-6,8-9,19H,7H2,1-3H3,(H,20,21)
InChIKeyDFHKPKLSUSPXBL-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.20
Rot. Bonds7

About 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid

5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid (PubChem CID 175285325) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
PubChem CID175285325
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1c(NCc2ccc(OC)cc2OC)cncc1C(=O)O
InChIInChI=1S/C17H18N2O6/c1-23-11-5-4-10(14(6-11)24-2)7-19-13-9-18-8-12(16(20)21)15(13)17(22)25-3/h4-6,8-9,19H,7H2,1-3H3,(H,20,21)
InChIKeyDFHKPKLSUSPXBL-UHFFFAOYSA-N
XLogP2.20
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
CID 19624826
4-[(2,5-dimethoxyanilino)methyl]pyrimidine-5-carboxylic acid
CID 103233124
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
5-[(2,4-dimethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630563
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid (CID 175285325) is 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid is COC(=O)c1c(NCc2ccc(OC)cc2OC)cncc1C(=O)O.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is DFHKPKLSUSPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-11-5-4-10(14(6-11)24-2)7-19-13-9-18-8-12(16(20)21)15(13)17(22)25-3/h4-6,8-9,19H,7H2,1-3H3,(H,20,21).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid?
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 175285325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).