6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile

C11H13N5O2 — CID 103472225

IUPAC6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c12-6-9-10(16(17)18)3-4-11(14-9)15-5-1-2-8(13)7-15/h3-4,8H,1-2,5,7,13H2
InChIKeySQIRSNDPNPUWJF-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.79
Rot. Bonds2

About 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile

6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile (PubChem CID 103472225) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
PubChem CID103472225
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c12-6-9-10(16(17)18)3-4-11(14-9)15-5-1-2-8(13)7-15/h3-4,8H,1-2,5,7,13H2
InChIKeySQIRSNDPNPUWJF-UHFFFAOYSA-N
XLogP0.79
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
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-[3-(1-aminoethyl)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472343
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-nitropyridine-2-carbonitrile
CID 103472601
3-[1-(6-cyano-5-nitro-2-pyridinyl)pyrrolidin-3-yl]propanoic acid
CID 103470056
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472568
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
CID 79827982
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
CID 71644205
6-[2-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 615756

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile (CID 103472225) is 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile is N#Cc1nc(N2CCCC(N)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The InChIKey is SQIRSNDPNPUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-6-9-10(16(17)18)3-4-11(14-9)15-5-1-2-8(13)7-15/h3-4,8H,1-2,5,7,13H2.
What are the key properties of 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).