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

C23H27N5O2 — CID 53166002

IUPAC1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c(C)c1
InChIInChI=1S/C23H27N5O2/c1-14-10-19(30-4)7-8-20(14)27-23(29)17-6-5-9-28(13-17)18-11-21-22(24-12-18)26-16(3)15(2)25-21/h7-8,10-12,17H,5-6,9,13H2,1-4H3,(H,27,29)
InChIKeyZSRNBRZVBBZJCY-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.81
Rot. Bonds4

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

1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 53166002) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
PubChem CID53166002
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c(C)c1
InChIInChI=1S/C23H27N5O2/c1-14-10-19(30-4)7-8-20(14)27-23(29)17-6-5-9-28(13-17)18-11-21-22(24-12-18)26-16(3)15(2)25-21/h7-8,10-12,17H,5-6,9,13H2,1-4H3,(H,27,29)
InChIKeyZSRNBRZVBBZJCY-UHFFFAOYSA-N
XLogP3.81
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.81
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-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide (CID 53166002) is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c(C)c1.
What is the InChIKey of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is ZSRNBRZVBBZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-10-19(30-4)7-8-20(14)27-23(29)17-6-5-9-28(13-17)18-11-21-22(24-12-18)26-16(3)15(2)25-21/h7-8,10-12,17H,5-6,9,13H2,1-4H3,(H,27,29).
What are the key properties of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide?
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.81, 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-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53166002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).