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

C14H19N5O2 — CID 103472359

IUPAC6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESCNCCC1CCCCN1c1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-16-6-5-12-4-2-3-7-18(12)14-13(19(20)21)8-11(9-15)10-17-14/h8,10,12,16H,2-7H2,1H3
InChIKeyYNHYCWIVAKEMLV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds5

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

6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile (PubChem CID 103472359) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
PubChem CID103472359
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESCNCCC1CCCCN1c1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-16-6-5-12-4-2-3-7-18(12)14-13(19(20)21)8-11(9-15)10-17-14/h8,10,12,16H,2-7H2,1H3
InChIKeyYNHYCWIVAKEMLV-UHFFFAOYSA-N
XLogP1.83
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.83
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-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
methyl 1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103473181
2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
6-(4-acetylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103470116
3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 102819045
3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 66279191
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473039
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile (CID 103472359) is 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile is CNCCC1CCCCN1c1ncc(C#N)cc1[N+](=O)[O-].
What is the InChIKey of 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The InChIKey is YNHYCWIVAKEMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-16-6-5-12-4-2-3-7-18(12)14-13(19(20)21)8-11(9-15)10-17-14/h8,10,12,16H,2-7H2,1H3.
What are the key properties of 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile?
6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103472359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).