1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide

C26H34N4O2 — CID 166234539

IUPAC1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
SMILESCc1ccc(CCNC(=O)C23CCC(C(=O)NCCc4ccc(C)nc4)(CC2)CC3)cn1
InChIInChI=1S/C26H34N4O2/c1-19-3-5-21(17-29-19)7-15-27-23(31)25-9-12-26(13-10-25,14-11-25)24(32)28-16-8-22-6-4-20(2)30-18-22/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyLOILMOCBMCPQHX-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.45
Rot. Bonds8

About 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide

1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide (PubChem CID 166234539) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
PubChem CID166234539
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
SMILESCc1ccc(CCNC(=O)C23CCC(C(=O)NCCc4ccc(C)nc4)(CC2)CC3)cn1
InChIInChI=1S/C26H34N4O2/c1-19-3-5-21(17-29-19)7-15-27-23(31)25-9-12-26(13-10-25,14-11-25)24(32)28-16-8-22-6-4-20(2)30-18-22/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyLOILMOCBMCPQHX-UHFFFAOYSA-N
XLogP3.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide with MolForge

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Related Compounds

3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455445
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473251
4-[2-(4,5-dimethylpyrimidin-2-yl)ethylcarbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166275701
(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 97051485
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 111117261
(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96563122
4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 167842749
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111837708

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide (CID 166234539) is 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide is Cc1ccc(CCNC(=O)C23CCC(C(=O)NCCc4ccc(C)nc4)(CC2)CC3)cn1.
What is the InChIKey of 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide?
The InChIKey is LOILMOCBMCPQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19-3-5-21(17-29-19)7-15-27-23(31)25-9-12-26(13-10-25,14-11-25)24(32)28-16-8-22-6-4-20(2)30-18-22/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide?
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide is sourced from PubChem (CID 166234539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).