3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid

C15H16N2O3 — CID 63069373

IUPAC3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(N(C)Cc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H16N2O3/c1-17(12-6-3-7-13(9-12)20-2)10-11-5-4-8-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKMJPSWYENZJBPU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid

3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 63069373) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
PubChem CID63069373
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(N(C)Cc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H16N2O3/c1-17(12-6-3-7-13(9-12)20-2)10-11-5-4-8-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKMJPSWYENZJBPU-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63073137
4-[(3-methoxy-N-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727338
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
6-[(3-methoxy-N-methylanilino)methyl]-1,3-benzodioxol-5-ol
CID 82957694
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
CID 107348273
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid (CID 63069373) is 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid is COc1cccc(N(C)Cc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is KMJPSWYENZJBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(12-6-3-7-13(9-12)20-2)10-11-5-4-8-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63069373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).