5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid

C15H16ClN3O2 — CID 81446929

IUPAC5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H16ClN3O2/c1-9(10-3-5-12(16)6-4-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,17H2,1-2H3,(H,20,21)
InChIKeyQWXVHQXXIBPQJI-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid

5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 81446929) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
PubChem CID81446929
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H16ClN3O2/c1-9(10-3-5-12(16)6-4-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,17H2,1-2H3,(H,20,21)
InChIKeyQWXVHQXXIBPQJI-UHFFFAOYSA-N
XLogP3.21
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid (CID 81446929) is 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid is CC(c1ccc(Cl)cc1)N(C)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is QWXVHQXXIBPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9(10-3-5-12(16)6-4-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,17H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 305.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81446929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).