2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C14H21ClN4O4 — CID 119532645

IUPAC2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-7-17(11-5-6-15-8-11)14(20)10-16-9-12(18(21)22)3-4-13(16)19;/h3-4,9,11,15H,2,5-8,10H2,1H3;1H
InChIKeyJCFKLSYPXGBPQM-UHFFFAOYSA-N
MW344.80 g/mol
LogP0.78
Rot. Bonds6

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119532645) has the molecular formula C14H21ClN4O4 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119532645
Molecular FormulaC14H21ClN4O4
Molecular Weight344.80 g/mol
Exact Mass344.13
IUPAC Name2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-7-17(11-5-6-15-8-11)14(20)10-16-9-12(18(21)22)3-4-13(16)19;/h3-4,9,11,15H,2,5-8,10H2,1H3;1H
InChIKeyJCFKLSYPXGBPQM-UHFFFAOYSA-N
XLogP0.78
TPSA97.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
4-(4-nitroanilino)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532084
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(5-nitro-2-oxo-1-pyridinyl)-N-propylacetamide
CID 71873995
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531551
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
3-[methyl-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 119232404

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119532645) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCNC1.Cl.
What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is JCFKLSYPXGBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4.ClH/c1-2-7-17(11-5-6-15-8-11)14(20)10-16-9-12(18(21)22)3-4-13(16)19;/h3-4,9,11,15H,2,5-8,10H2,1H3;1H.
What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119532645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).