N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide

C19H20N6O — CID 56886592

IUPACN-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(c2cnc3ccccc3n2)CCN1
InChIInChI=1S/C19H20N6O/c26-19(23-11-14-5-3-4-8-20-14)17-13-25(10-9-21-17)18-12-22-15-6-1-2-7-16(15)24-18/h1-8,12,17,21H,9-11,13H2,(H,23,26)
InChIKeyZGOLPFRVWHBFGD-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.12
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide

N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide (PubChem CID 56886592) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide
PubChem CID56886592
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(c2cnc3ccccc3n2)CCN1
InChIInChI=1S/C19H20N6O/c26-19(23-11-14-5-3-4-8-20-14)17-13-25(10-9-21-17)18-12-22-15-6-1-2-7-16(15)24-18/h1-8,12,17,21H,9-11,13H2,(H,23,26)
InChIKeyZGOLPFRVWHBFGD-UHFFFAOYSA-N
XLogP1.12
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
4-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56883812
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
(2S)-4-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95724182
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56916212
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
5-oxo-N-(pyridin-2-ylmethyl)-1,4-thiazepane-3-carboxamide
CID 71798018

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide (CID 56886592) is N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide is O=C(NCc1ccccn1)C1CN(c2cnc3ccccc3n2)CCN1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide?
The InChIKey is ZGOLPFRVWHBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(23-11-14-5-3-4-8-20-14)17-13-25(10-9-21-17)18-12-22-15-6-1-2-7-16(15)24-18/h1-8,12,17,21H,9-11,13H2,(H,23,26).
What are the key properties of N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide?
N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 56886592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).