5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide

C21H19Cl2N5O — CID 44527543

IUPAC5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C21H19Cl2N5O/c22-16-2-1-3-17(13-16)26-21(29)15-12-19(23)20(25-14-15)28-10-8-27(9-11-28)18-4-6-24-7-5-18/h1-7,12-14H,8-11H2,(H,26,29)
InChIKeyIVFHUUHIAMUTGR-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.36
Rot. Bonds4

About 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide

5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 44527543) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID44527543
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C21H19Cl2N5O/c22-16-2-1-3-17(13-16)26-21(29)15-12-19(23)20(25-14-15)28-10-8-27(9-11-28)18-4-6-24-7-5-18/h1-7,12-14H,8-11H2,(H,26,29)
InChIKeyIVFHUUHIAMUTGR-UHFFFAOYSA-N
XLogP4.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 44527543) is 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is IVFHUUHIAMUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c22-16-2-1-3-17(13-16)26-21(29)15-12-19(23)20(25-14-15)28-10-8-27(9-11-28)18-4-6-24-7-5-18/h1-7,12-14H,8-11H2,(H,26,29).
What are the key properties of 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44527543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).