3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile

C10H11N5O2 — CID 82813443

IUPAC3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c11-5-7-1-4-13-10(9(7)15(16)17)14-8-2-3-12-6-8/h1,4,8,12H,2-3,6H2,(H,13,14)
InChIKeyWJAPZZRRXPOULN-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.64
Rot. Bonds3

About 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile

3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile (PubChem CID 82813443) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
PubChem CID82813443
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c11-5-7-1-4-13-10(9(7)15(16)17)14-8-2-3-12-6-8/h1,4,8,12H,2-3,6H2,(H,13,14)
InChIKeyWJAPZZRRXPOULN-UHFFFAOYSA-N
XLogP0.64
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.64
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'}

Analyze 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
CID 103764758
2-[(1-ethylpiperidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 80719136
2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
CID 82812926
2-[(2,4-dimethylcyclohexyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711391
3-nitro-2-(2-piperidin-4-yloxyethylamino)pyridine-4-carbonitrile
CID 82795197
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-nitropyridine-4-carbonitrile
CID 83025967
2-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-4-carbonitrile
CID 82794901
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 82813233

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile (CID 82813443) is 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCNC2)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is WJAPZZRRXPOULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-5-7-1-4-13-10(9(7)15(16)17)14-8-2-3-12-6-8/h1,4,8,12H,2-3,6H2,(H,13,14).
What are the key properties of 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile?
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile has a molecular weight of 233.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82813443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).