2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid

C16H18N2O2 — CID 62515879

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
SMILESCCN(Cc1ccncc1)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-3-18(11-13-6-8-17-9-7-13)15-5-4-12(2)10-14(15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyYQVLSVTZHICDKR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.11
Rot. Bonds5

About 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid

2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid (PubChem CID 62515879) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
PubChem CID62515879
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
SMILESCCN(Cc1ccncc1)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-3-18(11-13-6-8-17-9-7-13)15-5-4-12(2)10-14(15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyYQVLSVTZHICDKR-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
2-[benzyl(ethyl)amino]-5-[(3-methylbenzoyl)amino]benzoic acid
CID 50807406
2-[benzyl(ethyl)amino]-5-methylbenzenecarbothioamide
CID 107928507
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
CID 55040153
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
3-amino-4-[ethyl-[(4-methylphenyl)methyl]amino]benzoic acid
CID 63119000
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533
5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944510
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701675

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid (CID 62515879) is 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid is CCN(Cc1ccncc1)c1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid?
The InChIKey is YQVLSVTZHICDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-18(11-13-6-8-17-9-7-13)15-5-4-12(2)10-14(15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid?
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 62515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).