2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile

C14H19N5O2 — CID 103353691

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESCCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)C(CN)C1
InChIInChI=1S/C14H19N5O2/c1-2-10-3-4-18(12(5-10)8-16)14-11(7-15)6-13(9-17-14)19(20)21/h6,9-10,12H,2-5,8,16H2,1H3
InChIKeyAODPCGQSMIYSOI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.82
Rot. Bonds4

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile (PubChem CID 103353691) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
PubChem CID103353691
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
SMILESCCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)C(CN)C1
InChIInChI=1S/C14H19N5O2/c1-2-10-3-4-18(12(5-10)8-16)14-11(7-15)6-13(9-17-14)19(20)21/h6,9-10,12H,2-5,8,16H2,1H3
InChIKeyAODPCGQSMIYSOI-UHFFFAOYSA-N
XLogP1.82
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.82
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

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 102787201
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
CID 103353808
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 103352434
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103353489
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 60677875
[1-(5-bromo-2-nitrophenyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353763
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136869158
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
[4-ethyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 103353715

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile (CID 103353691) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile is CCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile?
The InChIKey is AODPCGQSMIYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-10-3-4-18(12(5-10)8-16)14-11(7-15)6-13(9-17-14)19(20)21/h6,9-10,12H,2-5,8,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103353691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).