3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide

C24H29N5O — CID 150607332

IUPAC3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESNC1=NC=C(c2cccc(C(=O)NCCN3CCCCC3)c2)N(c2ccccc2)C1
InChIInChI=1S/C24H29N5O/c25-23-18-29(21-10-3-1-4-11-21)22(17-27-23)19-8-7-9-20(16-19)24(30)26-12-15-28-13-5-2-6-14-28/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2,(H2,25,27)(H,26,30)
InChIKeyITDNHJKYJHCVGM-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.08
Rot. Bonds6

About 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide

3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 150607332) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID150607332
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESNC1=NC=C(c2cccc(C(=O)NCCN3CCCCC3)c2)N(c2ccccc2)C1
InChIInChI=1S/C24H29N5O/c25-23-18-29(21-10-3-1-4-11-21)22(17-27-23)19-8-7-9-20(16-19)24(30)26-12-15-28-13-5-2-6-14-28/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2,(H2,25,27)(H,26,30)
InChIKeyITDNHJKYJHCVGM-UHFFFAOYSA-N
XLogP3.08
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 86703912
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 170991948
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide (CID 150607332) is 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide is NC1=NC=C(c2cccc(C(=O)NCCN3CCCCC3)c2)N(c2ccccc2)C1.
What is the InChIKey of 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is ITDNHJKYJHCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c25-23-18-29(21-10-3-1-4-11-21)22(17-27-23)19-8-7-9-20(16-19)24(30)26-12-15-28-13-5-2-6-14-28/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2,(H2,25,27)(H,26,30).
What are the key properties of 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide?
3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 150607332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).