2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile

C9H11N5O2 — CID 63732552

IUPAC2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
SMILESCC(N)CNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C9H11N5O2/c1-6(11)4-12-9-7(3-10)2-8(5-13-9)14(15)16/h2,5-6H,4,11H2,1H3,(H,12,13)
InChIKeyHWFADNJNSNJAKR-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile

2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 63732552) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
PubChem CID63732552
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
SMILESCC(N)CNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C9H11N5O2/c1-6(11)4-12-9-7(3-10)2-8(5-13-9)14(15)16/h2,5-6H,4,11H2,1H3,(H,12,13)
InChIKeyHWFADNJNSNJAKR-UHFFFAOYSA-N
XLogP0.62
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.62
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-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097168
2-(3-methylsulfinylpropylamino)-5-nitropyridine-3-carbonitrile
CID 115620988
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 106350790
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83203409
2-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678662

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile (CID 63732552) is 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile is CC(N)CNc1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is HWFADNJNSNJAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6(11)4-12-9-7(3-10)2-8(5-13-9)14(15)16/h2,5-6H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile?
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 63732552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).