1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C20H23N5OS — CID 53166098

IUPAC1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc2cc(N3CCC(C(=O)NCc4cccs4)CC3)cnc2nc1C
InChIInChI=1S/C20H23N5OS/c1-13-14(2)24-19-18(23-13)10-16(11-21-19)25-7-5-15(6-8-25)20(26)22-12-17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,26)
InChIKeyDRYYEABZFTYMBA-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53166098) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53166098
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc2cc(N3CCC(C(=O)NCc4cccs4)CC3)cnc2nc1C
InChIInChI=1S/C20H23N5OS/c1-13-14(2)24-19-18(23-13)10-16(11-21-19)25-7-5-15(6-8-25)20(26)22-12-17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,26)
InChIKeyDRYYEABZFTYMBA-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53166098) is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1nc2cc(N3CCC(C(=O)NCc4cccs4)CC3)cnc2nc1C.
What is the InChIKey of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DRYYEABZFTYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-14(2)24-19-18(23-13)10-16(11-21-19)25-7-5-15(6-8-25)20(26)22-12-17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,26).
What are the key properties of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).