N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide

C19H27N3O2 — CID 113024984

IUPACN-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)cn1)C1CCOCC1
InChIInChI=1S/C19H27N3O2/c23-19(16-9-12-24-13-10-16)22-18-7-6-17(14-21-18)20-11-8-15-4-2-1-3-5-15/h4,6-7,14,16,20H,1-3,5,8-13H2,(H,21,22,23)
InChIKeyUUUOUGCLZNTZCQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.75
Rot. Bonds6

About N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide

N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113024984) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
PubChem CID113024984
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)cn1)C1CCOCC1
InChIInChI=1S/C19H27N3O2/c23-19(16-9-12-24-13-10-16)22-18-7-6-17(14-21-18)20-11-8-15-4-2-1-3-5-15/h4,6-7,14,16,20H,1-3,5,8-13H2,(H,21,22,23)
InChIKeyUUUOUGCLZNTZCQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.75
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

ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109152763
N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55816121

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide (CID 113024984) is N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(NCCC2=CCCCC2)cn1)C1CCOCC1.
What is the InChIKey of N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is UUUOUGCLZNTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(16-9-12-24-13-10-16)22-18-7-6-17(14-21-18)20-11-8-15-4-2-1-3-5-15/h4,6-7,14,16,20H,1-3,5,8-13H2,(H,21,22,23).
What are the key properties of N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113024984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).