5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid

C15H15ClN2O2 — CID 114919313

IUPAC5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1cccc(CN(C)c2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(6-10)9-18(2)14-7-12(15(19)20)13(16)8-17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyUEUARCFBAQTVGY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.38
Rot. Bonds4

About 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid

5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid (PubChem CID 114919313) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
PubChem CID114919313
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1cccc(CN(C)c2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(6-10)9-18(2)14-7-12(15(19)20)13(16)8-17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyUEUARCFBAQTVGY-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316
2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
6-(aminomethyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 55054743
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61411674
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid (CID 114919313) is 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid is Cc1cccc(CN(C)c2cc(C(=O)O)c(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The InChIKey is UEUARCFBAQTVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(6-10)9-18(2)14-7-12(15(19)20)13(16)8-17-14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).