1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide

C32H34N6O2 — CID 54254864

IUPAC1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide
SMILESO=C(C1CCCCC1C(=O)N(Cc1cccnc1)Cc1cccnc1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C32H34N6O2/c39-31(37(21-25-7-3-13-33-17-25)22-26-8-4-14-34-18-26)29-11-1-2-12-30(29)32(40)38(23-27-9-5-15-35-19-27)24-28-10-6-16-36-20-28/h3-10,13-20,29-30H,1-2,11-12,21-24H2
InChIKeyQZHYFNVVMXTQAD-UHFFFAOYSA-N
MW534.66 g/mol
LogP4.83
Rot. Bonds10

About 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide

1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide (PubChem CID 54254864) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide
PubChem CID54254864
Molecular FormulaC32H34N6O2
Molecular Weight534.66 g/mol
Exact Mass534.27
IUPAC Name1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide
SMILESO=C(C1CCCCC1C(=O)N(Cc1cccnc1)Cc1cccnc1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C32H34N6O2/c39-31(37(21-25-7-3-13-33-17-25)22-26-8-4-14-34-18-26)29-11-1-2-12-30(29)32(40)38(23-27-9-5-15-35-19-27)24-28-10-6-16-36-20-28/h3-10,13-20,29-30H,1-2,11-12,21-24H2
InChIKeyQZHYFNVVMXTQAD-UHFFFAOYSA-N
XLogP4.83
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide (CID 54254864) is 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide is O=C(C1CCCCC1C(=O)N(Cc1cccnc1)Cc1cccnc1)N(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is QZHYFNVVMXTQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c39-31(37(21-25-7-3-13-33-17-25)22-26-8-4-14-34-18-26)29-11-1-2-12-30(29)32(40)38(23-27-9-5-15-35-19-27)24-28-10-6-16-36-20-28/h3-10,13-20,29-30H,1-2,11-12,21-24H2.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide?
1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 534.66 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis(pyridin-3-ylmethyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 54254864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).