3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide

C20H27N5O — CID 50847599

IUPAC3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)c1nccnc1-c1cccc(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H27N5O/c1-24(2)19-18(21-9-10-22-19)16-7-6-8-17(15-16)20(26)23-11-14-25-12-4-3-5-13-25/h6-10,15H,3-5,11-14H2,1-2H3,(H,23,26)
InChIKeyKCUTUUGDKIGERI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.43
Rot. Bonds6

About 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide

3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 50847599) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID50847599
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)c1nccnc1-c1cccc(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H27N5O/c1-24(2)19-18(21-9-10-22-19)16-7-6-8-17(15-16)20(26)23-11-14-25-12-4-3-5-13-25/h6-10,15H,3-5,11-14H2,1-2H3,(H,23,26)
InChIKeyKCUTUUGDKIGERI-UHFFFAOYSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 50847566
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 142209045
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 170991948
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 86703912
3-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103516
3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103263

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 50847599) is 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide is CN(C)c1nccnc1-c1cccc(C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is KCUTUUGDKIGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24(2)19-18(21-9-10-22-19)16-7-6-8-17(15-16)20(26)23-11-14-25-12-4-3-5-13-25/h6-10,15H,3-5,11-14H2,1-2H3,(H,23,26).
What are the key properties of 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide?
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 50847599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).