3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide

C18H23N3O2 — CID 109101725

IUPAC3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2,6,11-13H,1,3-5,7-10H2,(H,20,22)(H,21,23)
InChIKeyJZGCGPDKAVONSW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.62
Rot. Bonds7

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

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101725) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101725
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2,6,11-13H,1,3-5,7-10H2,(H,20,22)(H,21,23)
InChIKeyJZGCGPDKAVONSW-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.62
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,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
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
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-N-(4-chloro-2-methylphenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103367

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101725) is 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is JZGCGPDKAVONSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2,6,11-13H,1,3-5,7-10H2,(H,20,22)(H,21,23).
What are the key properties of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).