N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide

C12H18N4O — CID 155586911

IUPACN-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H18N4O/c1-2-14-12(17)11-4-3-10(9-15-11)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3,(H,14,17)
InChIKeyQCHBORJPOYKEFW-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.24
Rot. Bonds3

About N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide

N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 155586911) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID155586911
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H18N4O/c1-2-14-12(17)11-4-3-10(9-15-11)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3,(H,14,17)
InChIKeyQCHBORJPOYKEFW-UHFFFAOYSA-N
XLogP0.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
CID 169189713
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178
N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171564714
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 155586911) is N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is QCHBORJPOYKEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-14-12(17)11-4-3-10(9-15-11)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide?
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 155586911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).