N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C18H25N3O2 — CID 56755952

IUPACN-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCC1=CCCCC1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)17(16-7-4-8-19-14-16)21-9-11-23-12-10-21/h4-5,7-8,14,17H,1-3,6,9-13H2,(H,20,22)
InChIKeyGBZNQRGVXRRCEV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.07
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 56755952) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID56755952
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCC1=CCCCC1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)17(16-7-4-8-19-14-16)21-9-11-23-12-10-21/h4-5,7-8,14,17H,1-3,6,9-13H2,(H,20,22)
InChIKeyGBZNQRGVXRRCEV-UHFFFAOYSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]-2-pyridin-3-ylacetamide
CID 72904137
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56705378
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72855093
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 56755952) is N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is O=C(NCC1=CCCCC1)C(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is GBZNQRGVXRRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)17(16-7-4-8-19-14-16)21-9-11-23-12-10-21/h4-5,7-8,14,17H,1-3,6,9-13H2,(H,20,22).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 315.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 56755952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).