5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid

C20H16Cl2N2O2 — CID 12640230

IUPAC5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C20H16Cl2N2O2/c21-16-5-1-3-14(9-16)12-24(13-15-4-2-6-17(22)10-15)18-7-8-19(20(25)26)23-11-18/h1-11H,12-13H2,(H,25,26)
InChIKeyVUWJKBIHHYOSMH-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.29
Rot. Bonds6

About 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid

5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid (PubChem CID 12640230) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid
PubChem CID12640230
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C20H16Cl2N2O2/c21-16-5-1-3-14(9-16)12-24(13-15-4-2-6-17(22)10-15)18-7-8-19(20(25)26)23-11-18/h1-11H,12-13H2,(H,25,26)
InChIKeyVUWJKBIHHYOSMH-UHFFFAOYSA-N
XLogP5.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid (CID 12640230) is 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(N(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is VUWJKBIHHYOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-16-5-1-3-14(9-16)12-24(13-15-4-2-6-17(22)10-15)18-7-8-19(20(25)26)23-11-18/h1-11H,12-13H2,(H,25,26).
What are the key properties of 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid?
5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid has a molecular weight of 387.27 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis[(3-chlorophenyl)methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).