2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile

C9H9N5O2 — CID 82812926

IUPAC2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CC2N)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O2/c10-4-5-1-2-12-9(8(5)14(15)16)13-7-3-6(7)11/h1-2,6-7H,3,11H2,(H,12,13)
InChIKeyAGRDXQTWBWXDHX-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.37
Rot. Bonds3

About 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile

2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile (PubChem CID 82812926) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
PubChem CID82812926
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CC2N)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O2/c10-4-5-1-2-12-9(8(5)14(15)16)13-7-3-6(7)11/h1-2,6-7H,3,11H2,(H,12,13)
InChIKeyAGRDXQTWBWXDHX-UHFFFAOYSA-N
XLogP0.37
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.37
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-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
2-[(2,4-dimethylcyclohexyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711391
2-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-4-carbonitrile
CID 82794901
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
CID 103764758
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 82813233
3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile
CID 133422237
2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80712422
3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile
CID 82813995
2-[(1-ethylpiperidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 80719136
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-nitropyridine-4-carbonitrile
CID 83025967

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile (CID 82812926) is 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(NC2CC2N)c1[N+](=O)[O-].
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile?
The InChIKey is AGRDXQTWBWXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-4-5-1-2-12-9(8(5)14(15)16)13-7-3-6(7)11/h1-2,6-7H,3,11H2,(H,12,13).
What are the key properties of 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile?
2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile has a molecular weight of 219.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82812926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).