5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide

C17H23N3O — CID 109179842

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C17H23N3O/c21-17(20-14-6-7-14)16-9-8-15(12-19-16)18-11-10-13-4-2-1-3-5-13/h4,8-9,12,14,18H,1-3,5-7,10-11H2,(H,20,21)
InChIKeyYBZVLETVMDWIPS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds6

About 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide

5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 109179842) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
PubChem CID109179842
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C17H23N3O/c21-17(20-14-6-7-14)16-9-8-15(12-19-16)18-11-10-13-4-2-1-3-5-13/h4,8-9,12,14,18H,1-3,5-7,10-11H2,(H,20,21)
InChIKeyYBZVLETVMDWIPS-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
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-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide (CID 109179842) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide is O=C(NC1CC1)c1ccc(NCCC2=CCCCC2)cn1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is YBZVLETVMDWIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(20-14-6-7-14)16-9-8-15(12-19-16)18-11-10-13-4-2-1-3-5-13/h4,8-9,12,14,18H,1-3,5-7,10-11H2,(H,20,21).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 109179842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).