3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid

C15H16N2O2 — CID 55107885

IUPAC3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11-9-13(15(18)19)4-5-14(11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19)
InChIKeyKFSAEKSWJFSLOV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds5

About 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid

3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid (PubChem CID 55107885) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid.

Molecular Properties

Compound Name3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
PubChem CID55107885
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11-9-13(15(18)19)4-5-14(11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19)
InChIKeyKFSAEKSWJFSLOV-UHFFFAOYSA-N
XLogP2.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331
3-chloro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 63089105

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid?
The IUPAC name of 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid (CID 55107885) is 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid.
What is the SMILES notation for 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid?
The canonical SMILES for 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid is Cc1cc(C(=O)O)ccc1NCCc1cccnc1.
What is the InChIKey of 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid?
The InChIKey is KFSAEKSWJFSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-9-13(15(18)19)4-5-14(11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19).
What are the key properties of 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid?
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid is sourced from PubChem (CID 55107885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).