2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide

C11H13N5O3 — CID 103471269

IUPAC2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H13N5O3/c1-2-5-13-11(17)7-14-10-4-3-9(16(18)19)8(6-12)15-10/h3-4H,2,5,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyFYGSMIWUMYWMOL-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.80
Rot. Bonds6

About 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide

2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide (PubChem CID 103471269) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide
PubChem CID103471269
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H13N5O3/c1-2-5-13-11(17)7-14-10-4-3-9(16(18)19)8(6-12)15-10/h3-4H,2,5,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyFYGSMIWUMYWMOL-UHFFFAOYSA-N
XLogP0.80
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
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-(2-nitroanilino)-N-propylacetamide
CID 43398638
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-nitropyridine-2-carbonitrile
CID 103578070
6-[(2-amino-2-ethylbutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472571
3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170824
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578006
6-[2-(4-methylpyrazol-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578011
3-nitro-2-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 115932186
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
6-[(4-aminophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103472658

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide (CID 103471269) is 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide?
The InChIKey is FYGSMIWUMYWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-5-13-11(17)7-14-10-4-3-9(16(18)19)8(6-12)15-10/h3-4H,2,5,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide?
2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide has a molecular weight of 263.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 103471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).