2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile

C14H19N5O2 — CID 82795332

IUPAC2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
SMILESCCN(CC1CCNCC1)c1nccc(C#N)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-2-18(10-11-3-6-16-7-4-11)14-13(19(20)21)12(9-15)5-8-17-14/h5,8,11,16H,2-4,6-7,10H2,1H3
InChIKeyRAZLTCKREVJCBN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.69
Rot. Bonds5

About 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile

2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile (PubChem CID 82795332) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
PubChem CID82795332
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
SMILESCCN(CC1CCNCC1)c1nccc(C#N)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-2-18(10-11-3-6-16-7-4-11)14-13(19(20)21)12(9-15)5-8-17-14/h5,8,11,16H,2-4,6-7,10H2,1H3
InChIKeyRAZLTCKREVJCBN-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile (CID 82795332) is 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile is CCN(CC1CCNCC1)c1nccc(C#N)c1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile?
The InChIKey is RAZLTCKREVJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18(10-11-3-6-16-7-4-11)14-13(19(20)21)12(9-15)5-8-17-14/h5,8,11,16H,2-4,6-7,10H2,1H3.
What are the key properties of 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile?
2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82795332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).