4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

C15H21N5O — CID 63343922

IUPAC4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(C(C)C#N)CC2)ccn1
InChIInChI=1S/C15H21N5O/c1-3-17-15(21)14-10-13(4-5-18-14)20-8-6-19(7-9-20)12(2)11-16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyRWSPVFKEFPMBQM-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.87
Rot. Bonds4

About 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 63343922) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
PubChem CID63343922
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(C(C)C#N)CC2)ccn1
InChIInChI=1S/C15H21N5O/c1-3-17-15(21)14-10-13(4-5-18-14)20-8-6-19(7-9-20)12(2)11-16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyRWSPVFKEFPMBQM-UHFFFAOYSA-N
XLogP0.87
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 63344096
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 84583882
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (CID 63343922) is 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2CCN(C(C)C#N)CC2)ccn1.
What is the InChIKey of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is RWSPVFKEFPMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-17-15(21)14-10-13(4-5-18-14)20-8-6-19(7-9-20)12(2)11-16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21).
What are the key properties of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 63343922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).