2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide

C26H20Cl2N4O2 — CID 58614708

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C26H20Cl2N4O2/c1-32(16-19-6-2-4-12-29-19)26(34)17-8-10-20(23(28)14-17)25(33)31-18-9-11-22(27)21(15-18)24-7-3-5-13-30-24/h2-15H,16H2,1H3,(H,31,33)
InChIKeyOCZWFAYZQOGSFF-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.97
Rot. Bonds6

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 58614708) has the molecular formula C26H20Cl2N4O2 and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID58614708
Molecular FormulaC26H20Cl2N4O2
Molecular Weight491.38 g/mol
Exact Mass490.10
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C26H20Cl2N4O2/c1-32(16-19-6-2-4-12-29-19)26(34)17-8-10-20(23(28)14-17)25(33)31-18-9-11-22(27)21(15-18)24-7-3-5-13-30-24/h2-15H,16H2,1H3,(H,31,33)
InChIKeyOCZWFAYZQOGSFF-UHFFFAOYSA-N
XLogP5.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide (CID 58614708) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide is CN(Cc1ccccn1)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is OCZWFAYZQOGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2/c1-32(16-19-6-2-4-12-29-19)26(34)17-8-10-20(23(28)14-17)25(33)31-18-9-11-22(27)21(15-18)24-7-3-5-13-30-24/h2-15H,16H2,1H3,(H,31,33).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 491.38 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 58614708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).