5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile

C11H11N5O3 — CID 103471557

IUPAC5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N5O3/c12-5-7-4-9(16(18)19)10(14-6-7)15-8-2-1-3-13-11(8)17/h4,6,8H,1-3H2,(H,13,17)(H,14,15)
InChIKeyWBCZINFYGSFRPI-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.55
Rot. Bonds3

About 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile

5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 103471557) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID103471557
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N5O3/c12-5-7-4-9(16(18)19)10(14-6-7)15-8-2-1-3-13-11(8)17/h4,6,8H,1-3H2,(H,13,17)(H,14,15)
InChIKeyWBCZINFYGSFRPI-UHFFFAOYSA-N
XLogP0.55
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.55
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

6-(azepan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472329
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471641
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718
6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 103471174
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
3-[(5-cyano-3-nitro-2-pyridinyl)amino]-3-cyclopropylpropanoic acid
CID 103470081
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile (CID 103471557) is 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile is N#Cc1cnc(NC2CCCNC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is WBCZINFYGSFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-5-7-4-9(16(18)19)10(14-6-7)15-8-2-1-3-13-11(8)17/h4,6,8H,1-3H2,(H,13,17)(H,14,15).
What are the key properties of 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 261.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103471557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).