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

C21H25N3O2 — CID 109183785

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C21H25N3O2/c1-26-20-10-6-5-9-18(20)24-21(25)19-12-11-17(15-23-19)22-14-13-16-7-3-2-4-8-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3,(H,24,25)
InChIKeyZTIMHLXBHKCTOX-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.64
Rot. Bonds7

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

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109183785) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109183785
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C21H25N3O2/c1-26-20-10-6-5-9-18(20)24-21(25)19-12-11-17(15-23-19)22-14-13-16-7-3-2-4-8-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3,(H,24,25)
InChIKeyZTIMHLXBHKCTOX-UHFFFAOYSA-N
XLogP4.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112980859
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 109183785) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NCCC2=CCCCC2)cn1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ZTIMHLXBHKCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-20-10-6-5-9-18(20)24-21(25)19-12-11-17(15-23-19)22-14-13-16-7-3-2-4-8-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3,(H,24,25).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).