6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile

C12H15N5O2 — CID 103472236

IUPAC6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2CN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N5O2/c13-6-9-5-11(17(18)19)12(15-8-9)16-4-2-1-3-10(16)7-14/h5,8,10H,1-4,7,14H2
InChIKeyBJCCJPCDNNHVDT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds3

About 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile

6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile (PubChem CID 103472236) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
PubChem CID103472236
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2CN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N5O2/c13-6-9-5-11(17(18)19)12(15-8-9)16-4-2-1-3-10(16)7-14/h5,8,10H,1-4,7,14H2
InChIKeyBJCCJPCDNNHVDT-UHFFFAOYSA-N
XLogP1.18
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
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-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472359
methyl 1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103473181
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
6-(4-acetylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103470116
6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473039
2-[1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 103469997
1-(5-cyano-3-nitro-2-pyridinyl)piperazine-2-carboxylic acid
CID 103472391
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitropyridine-3-carbonitrile
CID 103472456
2-[1-(5-cyano-3-nitro-2-pyridinyl)azetidin-3-yl]acetic acid
CID 103469970

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile (CID 103472236) is 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile is N#Cc1cnc(N2CCCCC2CN)c([N+](=O)[O-])c1.
What is the InChIKey of 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The InChIKey is BJCCJPCDNNHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-6-9-5-11(17(18)19)12(15-8-9)16-4-2-1-3-10(16)7-14/h5,8,10H,1-4,7,14H2.
What are the key properties of 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103472236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).