2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide

C26H20Cl2N4O2 — CID 171424806

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CN(C(=O)c2ccc(C(N)=O)cc2Cl)c2ccc(Cl)c(-c3ccccn3)c2)n1
InChIInChI=1S/C26H20Cl2N4O2/c1-16-5-4-6-18(31-16)15-32(26(34)20-10-8-17(25(29)33)13-23(20)28)19-9-11-22(27)21(14-19)24-7-2-3-12-30-24/h2-14H,15H2,1H3,(H2,29,33)
InChIKeyQLGDHHCLTKCRQL-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.70
Rot. Bonds6

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 171424806) 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)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
PubChem CID171424806
Molecular FormulaC26H20Cl2N4O2
Molecular Weight491.38 g/mol
Exact Mass490.10
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CN(C(=O)c2ccc(C(N)=O)cc2Cl)c2ccc(Cl)c(-c3ccccn3)c2)n1
InChIInChI=1S/C26H20Cl2N4O2/c1-16-5-4-6-18(31-16)15-32(26(34)20-10-8-17(25(29)33)13-23(20)28)19-9-11-22(27)21(14-19)24-7-2-3-12-30-24/h2-14H,15H2,1H3,(H2,29,33)
InChIKeyQLGDHHCLTKCRQL-UHFFFAOYSA-N
XLogP5.70
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 67456409
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
CID 170123465
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 142777383
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
2,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055700
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide (CID 171424806) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide is Cc1cccc(CN(C(=O)c2ccc(C(N)=O)cc2Cl)c2ccc(Cl)c(-c3ccccn3)c2)n1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is QLGDHHCLTKCRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2/c1-16-5-4-6-18(31-16)15-32(26(34)20-10-8-17(25(29)33)13-23(20)28)19-9-11-22(27)21(14-19)24-7-2-3-12-30-24/h2-14H,15H2,1H3,(H2,29,33).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 491.38 g/mol, XLogP of 5.70, 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)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 171424806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).