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

C25H19ClN4O3 — CID 121363899

IUPAC4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(N(C(=O)c2ccc(C(N)=O)cc2)c2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C25H19ClN4O3/c1-33-23-12-10-19(15-29-23)30(25(32)17-7-5-16(6-8-17)24(27)31)18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,31)
InChIKeyNPBQTIQXNKHIHP-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.88
Rot. Bonds6

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

4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide (PubChem CID 121363899) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
PubChem CID121363899
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(N(C(=O)c2ccc(C(N)=O)cc2)c2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C25H19ClN4O3/c1-33-23-12-10-19(15-29-23)30(25(32)17-7-5-16(6-8-17)24(27)31)18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,31)
InChIKeyNPBQTIQXNKHIHP-UHFFFAOYSA-N
XLogP4.88
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide (CID 121363899) is 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide is COc1ccc(N(C(=O)c2ccc(C(N)=O)cc2)c2ccc(Cl)c(-c3ccccn3)c2)cn1.
What is the InChIKey of 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide?
The InChIKey is NPBQTIQXNKHIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c1-33-23-12-10-19(15-29-23)30(25(32)17-7-5-16(6-8-17)24(27)31)18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,31).
What are the key properties of 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide?
4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide has a molecular weight of 458.91 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 121363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).