4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid

C16H18N2O3 — CID 81229074

IUPAC4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-11-8-15(14(9-17-11)16(19)20)18(2)10-12-4-6-13(21-3)7-5-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyXIFNXRXWOYNMKB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.73
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid

4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81229074) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81229074
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-11-8-15(14(9-17-11)16(19)20)18(2)10-12-4-6-13(21-3)7-5-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyXIFNXRXWOYNMKB-UHFFFAOYSA-N
XLogP2.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 129284478
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[(4-methoxyphenyl)methyl-methylamino]thiophene-2-carboxylic acid
CID 113403958
2-[(5-bromothiophen-3-yl)methyl-methylamino]-4-methoxybenzoic acid
CID 81304608
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid (CID 81229074) is 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid is COc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is XIFNXRXWOYNMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-8-15(14(9-17-11)16(19)20)18(2)10-12-4-6-13(21-3)7-5-12/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81229074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).