N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide

C17H23N3O3 — CID 45228021

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(NC1CC(=O)N(C2CCCCCC2)C1)c1cc[n+]([O-])cc1
InChIInChI=1S/C17H23N3O3/c21-16-11-14(12-20(16)15-5-3-1-2-4-6-15)18-17(22)13-7-9-19(23)10-8-13/h7-10,14-15H,1-6,11-12H2,(H,18,22)
InChIKeyABDJPRDUKZJXRX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.37
Rot. Bonds3

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 45228021) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID45228021
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(NC1CC(=O)N(C2CCCCCC2)C1)c1cc[n+]([O-])cc1
InChIInChI=1S/C17H23N3O3/c21-16-11-14(12-20(16)15-5-3-1-2-4-6-15)18-17(22)13-7-9-19(23)10-8-13/h7-10,14-15H,1-6,11-12H2,(H,18,22)
InChIKeyABDJPRDUKZJXRX-UHFFFAOYSA-N
XLogP1.37
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
2-cyclopentyloxy-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 91815511
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 42463239
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 138992055
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
CID 56894877

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide (CID 45228021) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide is O=C(NC1CC(=O)N(C2CCCCCC2)C1)c1cc[n+]([O-])cc1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is ABDJPRDUKZJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16-11-14(12-20(16)15-5-3-1-2-4-6-15)18-17(22)13-7-9-19(23)10-8-13/h7-10,14-15H,1-6,11-12H2,(H,18,22).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 45228021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).