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

C22H25N5OS — CID 53165997

IUPAC1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)cc1
InChIInChI=1S/C22H25N5OS/c1-14-15(2)25-21-20(24-14)11-18(12-23-21)27-10-4-5-16(13-27)22(28)26-17-6-8-19(29-3)9-7-17/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,26,28)
InChIKeyZYOZZOMDLIWOTQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.22
Rot. Bonds4

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

1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 53165997) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID53165997
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)cc1
InChIInChI=1S/C22H25N5OS/c1-14-15(2)25-21-20(24-14)11-18(12-23-21)27-10-4-5-16(13-27)22(28)26-17-6-8-19(29-3)9-7-17/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,26,28)
InChIKeyZYOZZOMDLIWOTQ-UHFFFAOYSA-N
XLogP4.22
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
CID 53165981
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 53166089
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 95100941
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
[1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53165999
[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95100960
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide (CID 53165997) is 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide is CSc1ccc(NC(=O)C2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)cc1.
What is the InChIKey of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is ZYOZZOMDLIWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-14-15(2)25-21-20(24-14)11-18(12-23-21)27-10-4-5-16(13-27)22(28)26-17-6-8-19(29-3)9-7-17/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,26,28).
What are the key properties of 1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide?
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.22, 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-methylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53165997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).