N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide

C17H27N3O3 — CID 43046384

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc[n+]([O-])c1)N1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-3-14(4-2)16(19-8-10-23-11-9-19)12-18-17(21)15-6-5-7-20(22)13-15/h5-7,13-14,16H,3-4,8-12H2,1-2H3,(H,18,21)
InChIKeyWRVUJEAGHLPQMS-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.19
Rot. Bonds7

About N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 43046384) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID43046384
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc[n+]([O-])c1)N1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-3-14(4-2)16(19-8-10-23-11-9-19)12-18-17(21)15-6-5-7-20(22)13-15/h5-7,13-14,16H,3-4,8-12H2,1-2H3,(H,18,21)
InChIKeyWRVUJEAGHLPQMS-UHFFFAOYSA-N
XLogP1.19
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51887858
4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
CID 46407135
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide (CID 43046384) is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide is CCC(CC)C(CNC(=O)c1ccc[n+]([O-])c1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is WRVUJEAGHLPQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-14(4-2)16(19-8-10-23-11-9-19)12-18-17(21)15-6-5-7-20(22)13-15/h5-7,13-14,16H,3-4,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 43046384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).