4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid

C15H15ClN2O2 — CID 63083019

IUPAC4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H15ClN2O2/c1-18(9-6-11-4-7-17-8-5-11)14-10-12(16)2-3-13(14)15(19)20/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)
InChIKeyNNCPHNCEBMMJNP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.11
Rot. Bonds5

About 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid

4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid (PubChem CID 63083019) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
PubChem CID63083019
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H15ClN2O2/c1-18(9-6-11-4-7-17-8-5-11)14-10-12(16)2-3-13(14)15(19)20/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)
InChIKeyNNCPHNCEBMMJNP-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 ≤ 500290.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 107935617
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
CID 133471121
2-chloro-4-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 62946231
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid (CID 63083019) is 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid is CN(CCc1ccncc1)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The InChIKey is NNCPHNCEBMMJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(9-6-11-4-7-17-8-5-11)14-10-12(16)2-3-13(14)15(19)20/h2-5,7-8,10H,6,9H2,1H3,(H,19,20).
What are the key properties of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid has a molecular weight of 290.75 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 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid is sourced from PubChem (CID 63083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).