4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide

C17H23N3O2 — CID 109079061

IUPAC4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NC2CCCCCC2)ccn1
InChIInChI=1S/C17H23N3O2/c1-2-10-19-17(22)15-12-13(9-11-18-15)16(21)20-14-7-5-3-4-6-8-14/h2,9,11-12,14H,1,3-8,10H2,(H,19,22)(H,20,21)
InChIKeyXAWOTQQUSHNLBS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.45
Rot. Bonds5

About 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide

4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079061) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079061
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NC2CCCCCC2)ccn1
InChIInChI=1S/C17H23N3O2/c1-2-10-19-17(22)15-12-13(9-11-18-15)16(21)20-14-7-5-3-4-6-8-14/h2,9,11-12,14H,1,3-8,10H2,(H,19,22)(H,20,21)
InChIKeyXAWOTQQUSHNLBS-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.45
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

4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
4-N-cyclopentyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109080710
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079061) is 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)NC2CCCCCC2)ccn1.
What is the InChIKey of 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is XAWOTQQUSHNLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-10-19-17(22)15-12-13(9-11-18-15)16(21)20-14-7-5-3-4-6-8-14/h2,9,11-12,14H,1,3-8,10H2,(H,19,22)(H,20,21).
What are the key properties of 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).