6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide

C19H27N3O2 — CID 109095591

IUPAC6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)22-18(24)16-11-7-10-15(21-16)17(23)20-13-12-14-8-5-4-6-9-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyYKAMJNHPCRPPBG-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.23
Rot. Bonds5

About 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide

6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 109095591) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
PubChem CID109095591
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)22-18(24)16-11-7-10-15(21-16)17(23)20-13-12-14-8-5-4-6-9-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyYKAMJNHPCRPPBG-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.23
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

2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
2-(butylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4-carboxamide
CID 109296312
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078119
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299485

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide (CID 109095591) is 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NCCC2=CCCCC2)n1.
What is the InChIKey of 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is YKAMJNHPCRPPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)22-18(24)16-11-7-10-15(21-16)17(23)20-13-12-14-8-5-4-6-9-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide?
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).