N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

C18H27N3O — CID 109227546

IUPACN-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C18H27N3O/c1-18(2,3)21-17(22)15-11-16(13-19-12-15)20-10-9-14-7-5-4-6-8-14/h7,11-13,20H,4-6,8-10H2,1-3H3,(H,21,22)
InChIKeyUCBUBMLTMALTQF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.91
Rot. Bonds5

About N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 109227546) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
PubChem CID109227546
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C18H27N3O/c1-18(2,3)21-17(22)15-11-16(13-19-12-15)20-10-9-14-7-5-4-6-8-14/h7,11-13,20H,4-6,8-10H2,1-3H3,(H,21,22)
InChIKeyUCBUBMLTMALTQF-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.91
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

N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109227622
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109227597
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227625
N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (CID 109227546) is N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1.
What is the InChIKey of N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is UCBUBMLTMALTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-18(2,3)21-17(22)15-11-16(13-19-12-15)20-10-9-14-7-5-4-6-8-14/h7,11-13,20H,4-6,8-10H2,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).