2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide

C10H14N4O3 — CID 112685108

IUPAC2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-2-5-11-9(15)7-13-8-4-3-6-12-10(8)14(16)17/h3-4,6,13H,2,5,7H2,1H3,(H,11,15)
InChIKeyVODLHMXMQJSWTA-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.93
Rot. Bonds6

About 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide

2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide (PubChem CID 112685108) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
PubChem CID112685108
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-2-5-11-9(15)7-13-8-4-3-6-12-10(8)14(16)17/h3-4,6,13H,2,5,7H2,1H3,(H,11,15)
InChIKeyVODLHMXMQJSWTA-UHFFFAOYSA-N
XLogP0.93
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
CID 106239190
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide (CID 112685108) is 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide?
The InChIKey is VODLHMXMQJSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-5-11-9(15)7-13-8-4-3-6-12-10(8)14(16)17/h3-4,6,13H,2,5,7H2,1H3,(H,11,15).
What are the key properties of 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide?
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide has a molecular weight of 238.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 112685108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).