(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone

C10H12N4O3 — CID 13063489

IUPAC(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC1
InChIInChI=1S/C10H12N4O3/c11-9-8(5-7(6-12-9)14(16)17)10(15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyFEXPBDBGIDRDQA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.81
Rot. Bonds2

About (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone

(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 13063489) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID13063489
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC1
InChIInChI=1S/C10H12N4O3/c11-9-8(5-7(6-12-9)14(16)17)10(15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyFEXPBDBGIDRDQA-UHFFFAOYSA-N
XLogP0.81
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-5-nitro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 104585562
4-(2-amino-5-nitropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 104588423
1-(2-amino-5-nitropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 104589155
(2-amino-5-nitro-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 104589005
(2-amino-5-nitro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104599392
4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
CID 104585508
(2-amino-5-nitro-3-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 104589545
(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 129117138
1-(2-chloro-5-nitropyridine-3-carbonyl)piperidine-3-carboxamide
CID 103817054
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone (CID 13063489) is (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone is Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC1.
What is the InChIKey of (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is FEXPBDBGIDRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9-8(5-7(6-12-9)14(16)17)10(15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12).
What are the key properties of (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone?
(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 236.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 13063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).