3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide

C23H31N3O2 — CID 109103293

IUPAC3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C23H31N3O2/c27-22(25-13-11-18-7-3-1-4-8-18)20-15-21(17-24-16-20)23(28)26-14-12-19-9-5-2-6-10-19/h7,9,15-17H,1-6,8,10-14H2,(H,25,27)(H,26,28)
InChIKeyFRWQSEDIGRNQLY-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.32
Rot. Bonds8

About 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide

3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109103293) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109103293
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C23H31N3O2/c27-22(25-13-11-18-7-3-1-4-8-18)20-15-21(17-24-16-20)23(28)26-14-12-19-9-5-2-6-10-19/h7,9,15-17H,1-6,8,10-14H2,(H,25,27)(H,26,28)
InChIKeyFRWQSEDIGRNQLY-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101725
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103350
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,4-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103349
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109103388
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
5-N-(2-cyanophenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103382
5-N-(4-chloro-2-methylphenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103367
5-(1,3-benzodioxol-5-ylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109227479
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109227480

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide (CID 109103293) is 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide is O=C(NCCC1=CCCCC1)c1cncc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is FRWQSEDIGRNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(25-13-11-18-7-3-1-4-8-18)20-15-21(17-24-16-20)23(28)26-14-12-19-9-5-2-6-10-19/h7,9,15-17H,1-6,8,10-14H2,(H,25,27)(H,26,28).
What are the key properties of 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide?
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).