5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide

C24H23N5O — CID 109288490

IUPAC5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C24H23N5O/c25-15-20-6-8-21(9-7-20)28-24(30)22-16-27-23(17-26-22)29-12-10-19(11-13-29)14-18-4-2-1-3-5-18/h1-9,16-17,19H,10-14H2,(H,28,30)
InChIKeyMNXQREFALSOGMS-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.06
Rot. Bonds5

About 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109288490) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109288490
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C24H23N5O/c25-15-20-6-8-21(9-7-20)28-24(30)22-16-27-23(17-26-22)29-12-10-19(11-13-29)14-18-4-2-1-3-5-18/h1-9,16-17,19H,10-14H2,(H,28,30)
InChIKeyMNXQREFALSOGMS-UHFFFAOYSA-N
XLogP4.06
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
CID 109273957
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide (CID 109288490) is 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is MNXQREFALSOGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-15-20-6-8-21(9-7-20)28-24(30)22-16-27-23(17-26-22)29-12-10-19(11-13-29)14-18-4-2-1-3-5-18/h1-9,16-17,19H,10-14H2,(H,28,30).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).