5-nitro-2-(propylamino)pyridine-3-carbonitrile

C9H10N4O2 — CID 25197726

IUPAC5-nitro-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C9H10N4O2/c1-2-3-11-9-7(5-10)4-8(6-12-9)13(14)15/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyGUCUXSWJVFNKDY-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.68
Rot. Bonds4

About 5-nitro-2-(propylamino)pyridine-3-carbonitrile

5-nitro-2-(propylamino)pyridine-3-carbonitrile (PubChem CID 25197726) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-nitro-2-(propylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-2-(propylamino)pyridine-3-carbonitrile
PubChem CID25197726
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-nitro-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C9H10N4O2/c1-2-3-11-9-7(5-10)4-8(6-12-9)13(14)15/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyGUCUXSWJVFNKDY-UHFFFAOYSA-N
XLogP1.68
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.68
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

3-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61064039
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
2-(3-methylsulfinylpropylamino)-5-nitropyridine-3-carbonitrile
CID 115620988
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
2-(5-methylsulfanylpentylamino)-5-nitropyridine-3-carbonitrile
CID 104925608
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83203409
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
2-[2-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 62099217
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(propylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-2-(propylamino)pyridine-3-carbonitrile (CID 25197726) is 5-nitro-2-(propylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-2-(propylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-2-(propylamino)pyridine-3-carbonitrile is CCCNc1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 5-nitro-2-(propylamino)pyridine-3-carbonitrile?
The InChIKey is GUCUXSWJVFNKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-3-11-9-7(5-10)4-8(6-12-9)13(14)15/h4,6H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-nitro-2-(propylamino)pyridine-3-carbonitrile?
5-nitro-2-(propylamino)pyridine-3-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(propylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 25197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).