5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide

C20H27N7O4S — CID 174813382

IUPAC5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCN(CC=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cc3)n2)C1
InChIInChI=1S/C20H27N7O4S/c1-26(10-11-28)25-15-4-3-9-27(13-15)17-12-22-18(19(21)29)20(24-17)23-14-5-7-16(8-6-14)32(2,30)31/h5-8,11-12,15,25H,3-4,9-10,13H2,1-2H3,(H2,21,29)(H,23,24)/t15-/m1/s1
InChIKeyJOPKUOASDXOYAV-OAHLLOKOSA-N
MW461.55 g/mol
LogP0.33
Rot. Bonds9

About 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide

5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide (PubChem CID 174813382) has the molecular formula C20H27N7O4S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
PubChem CID174813382
Molecular FormulaC20H27N7O4S
Molecular Weight461.55 g/mol
Exact Mass461.18
IUPAC Name5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCN(CC=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cc3)n2)C1
InChIInChI=1S/C20H27N7O4S/c1-26(10-11-28)25-15-4-3-9-27(13-15)17-12-22-18(19(21)29)20(24-17)23-14-5-7-16(8-6-14)32(2,30)31/h5-8,11-12,15,25H,3-4,9-10,13H2,1-2H3,(H2,21,29)(H,23,24)/t15-/m1/s1
InChIKeyJOPKUOASDXOYAV-OAHLLOKOSA-N
XLogP0.33
TPSA150.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide with MolForge

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Related Compounds

2-[methyl-[[(3R)-1-[6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]amino]amino]acetaldehyde
CID 174973938
3-(4-methylsulfonylanilino)-5-[3-(phenylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 135362018
N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 154680872
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide
CID 123213976
3-[4-(1-amino-2-methyl-1-oxopropan-2-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114795
3-[4-(1-carbamoylcyclopropyl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114726
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397
3-[4-(2-cyanopropan-2-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114665
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114897

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide (CID 174813382) is 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide is CN(CC=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cc3)n2)C1.
What is the InChIKey of 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?
The InChIKey is JOPKUOASDXOYAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N7O4S/c1-26(10-11-28)25-15-4-3-9-27(13-15)17-12-22-18(19(21)29)20(24-17)23-14-5-7-16(8-6-14)32(2,30)31/h5-8,11-12,15,25H,3-4,9-10,13H2,1-2H3,(H2,21,29)(H,23,24)/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?
5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 174813382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).