5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide

C19H16N4O2 — CID 155512022

IUPAC5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)Nc2ccncc2)cc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H16N4O2/c1-13-10-14(18(24)22-16-2-6-20-7-3-16)12-15(11-13)19(25)23-17-4-8-21-9-5-17/h2-12H,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyBPDNQOPIVDWLJJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.29
Rot. Bonds4

About 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide

5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide (PubChem CID 155512022) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
PubChem CID155512022
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)Nc2ccncc2)cc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H16N4O2/c1-13-10-14(18(24)22-16-2-6-20-7-3-16)12-15(11-13)19(25)23-17-4-8-21-9-5-17/h2-12H,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyBPDNQOPIVDWLJJ-UHFFFAOYSA-N
XLogP3.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide (CID 155512022) is 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide is Cc1cc(C(=O)Nc2ccncc2)cc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The InChIKey is BPDNQOPIVDWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-10-14(18(24)22-16-2-6-20-7-3-16)12-15(11-13)19(25)23-17-4-8-21-9-5-17/h2-12H,1H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 155512022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).