N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

C17H23N3O3S — CID 100734114

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccnc(O[C@@H]2CCSC2)c1
InChIInChI=1S/C17H23N3O3S/c21-16-3-1-8-20(16)9-2-6-19-17(22)13-4-7-18-15(11-13)23-14-5-10-24-12-14/h4,7,11,14H,1-3,5-6,8-10,12H2,(H,19,22)/t14-/m1/s1
InChIKeyZRSWCBLTGRTHRG-CQSZACIVSA-N
MW349.46 g/mol
LogP1.71
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100734114) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100734114
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccnc(O[C@@H]2CCSC2)c1
InChIInChI=1S/C17H23N3O3S/c21-16-3-1-8-20(16)9-2-6-19-17(22)13-4-7-18-15(11-13)23-14-5-10-24-12-14/h4,7,11,14H,1-3,5-6,8-10,12H2,(H,19,22)/t14-/m1/s1
InChIKeyZRSWCBLTGRTHRG-CQSZACIVSA-N
XLogP1.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117080929
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693
2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
CID 91815497
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100734114) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is O=C(NCCCN1CCCC1=O)c1ccnc(O[C@@H]2CCSC2)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is ZRSWCBLTGRTHRG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16-3-1-8-20(16)9-2-6-19-17(22)13-4-7-18-15(11-13)23-14-5-10-24-12-14/h4,7,11,14H,1-3,5-6,8-10,12H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).