N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide

C20H23N5O — CID 121109874

IUPACN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1C
InChIInChI=1S/C20H23N5O/c1-14-3-4-17(11-15(14)2)20(26)24-13-16-5-9-25(10-6-16)19-18(12-21)22-7-8-23-19/h3-4,7-8,11,16H,5-6,9-10,13H2,1-2H3,(H,24,26)
InChIKeyGWLQMTPWDDSXMH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds4

About N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide

N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide (PubChem CID 121109874) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
PubChem CID121109874
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1C
InChIInChI=1S/C20H23N5O/c1-14-3-4-17(11-15(14)2)20(26)24-13-16-5-9-25(10-6-16)19-18(12-21)22-7-8-23-19/h3-4,7-8,11,16H,5-6,9-10,13H2,1-2H3,(H,24,26)
InChIKeyGWLQMTPWDDSXMH-UHFFFAOYSA-N
XLogP2.61
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
3-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109949
3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109940
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 121108998
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-methyl-3-nitrobenzamide
CID 121109921
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121110017
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121109894
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide (CID 121109874) is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1C.
What is the InChIKey of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide?
The InChIKey is GWLQMTPWDDSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-3-4-17(11-15(14)2)20(26)24-13-16-5-9-25(10-6-16)19-18(12-21)22-7-8-23-19/h3-4,7-8,11,16H,5-6,9-10,13H2,1-2H3,(H,24,26).
What are the key properties of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide?
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide has a molecular weight of 349.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 121109874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).