4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide

C15H26N2O — CID 115774573

IUPAC4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-8-10-17(11-9-12)14(18)16-13-6-4-5-7-13/h8,13H,4-7,9-11H2,1-3H3,(H,16,18)
InChIKeyYMTPOPURSCJBSI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.32
Rot. Bonds1

About 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115774573) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115774573
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-8-10-17(11-9-12)14(18)16-13-6-4-5-7-13/h8,13H,4-7,9-11H2,1-3H3,(H,16,18)
InChIKeyYMTPOPURSCJBSI-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
N-cyclohexyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 114500022
N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774578
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 104929075
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
CID 115776440
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115774573) is 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)C1=CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YMTPOPURSCJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)12-8-10-17(11-9-12)14(18)16-13-6-4-5-7-13/h8,13H,4-7,9-11H2,1-3H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115774573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).