5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide

C22H22N4O2 — CID 2801003

IUPAC5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccnc2)cc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C22H22N4O2/c1-22(2,3)17-11-15(20(27)25-18-6-4-8-23-13-18)10-16(12-17)21(28)26-19-7-5-9-24-14-19/h4-14H,1-3H3,(H,25,27)(H,26,28)
InChIKeyGPMAWZWHYNAUCW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.28
Rot. Bonds4

About 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide

5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 2801003) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
PubChem CID2801003
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccnc2)cc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C22H22N4O2/c1-22(2,3)17-11-15(20(27)25-18-6-4-8-23-13-18)10-16(12-17)21(28)26-19-7-5-9-24-14-19/h4-14H,1-3H3,(H,25,27)(H,26,28)
InChIKeyGPMAWZWHYNAUCW-UHFFFAOYSA-N
XLogP4.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide (CID 2801003) is 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide is CC(C)(C)c1cc(C(=O)Nc2cccnc2)cc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is GPMAWZWHYNAUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-22(2,3)17-11-15(20(27)25-18-6-4-8-23-13-18)10-16(12-17)21(28)26-19-7-5-9-24-14-19/h4-14H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 2801003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).