2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid

C16H18N2O2 — CID 62701835

IUPAC2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-4-18(13-7-5-6-11(2)10-13)15-14(16(19)20)9-8-12(3)17-15/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyGUQIUEZVWLUWNR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds4

About 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid

2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 62701835) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID62701835
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-4-18(13-7-5-6-11(2)10-13)15-14(16(19)20)9-8-12(3)17-15/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyGUQIUEZVWLUWNR-UHFFFAOYSA-N
XLogP3.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
N-ethyl-2,7-dimethyl-N-(3-methylphenyl)-1,8-naphthyridin-4-amine
CID 19258537
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396688
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid (CID 62701835) is 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid is CCN(c1cccc(C)c1)c1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is GUQIUEZVWLUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-18(13-7-5-6-11(2)10-13)15-14(16(19)20)9-8-12(3)17-15/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid?
2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62701835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).