N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide

C20H22FN7O4S — CID 10183998

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NNS(=O)(=O)c2ccccc2F)c1=O
InChIInChI=1S/C20H22FN7O4S/c1-12-9-24-19(26-27-33(31,32)16-6-4-3-5-15(16)21)20(30)28(12)11-18(29)23-10-14-7-8-17(22)25-13(14)2/h3-9,27H,10-11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyNIZSRGQBHKISRA-UHFFFAOYSA-N
MW475.51 g/mol
LogP0.60
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 10183998) has the molecular formula C20H22FN7O4S and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID10183998
Molecular FormulaC20H22FN7O4S
Molecular Weight475.51 g/mol
Exact Mass475.14
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NNS(=O)(=O)c2ccccc2F)c1=O
InChIInChI=1S/C20H22FN7O4S/c1-12-9-24-19(26-27-33(31,32)16-6-4-3-5-15(16)21)20(30)28(12)11-18(29)23-10-14-7-8-17(22)25-13(14)2/h3-9,27H,10-11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyNIZSRGQBHKISRA-UHFFFAOYSA-N
XLogP0.60
TPSA161.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(3-cyclopropylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291383
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291414
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
CID 10004435
1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869625
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
CID 58869621
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide
CID 23552224
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
CID 157431100
2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
CID 11048541
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(2-naphthalen-1-ylethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70249075
N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 22179385

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 10183998) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NNS(=O)(=O)c2ccccc2F)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is NIZSRGQBHKISRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O4S/c1-12-9-24-19(26-27-33(31,32)16-6-4-3-5-15(16)21)20(30)28(12)11-18(29)23-10-14-7-8-17(22)25-13(14)2/h3-9,27H,10-11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 475.51 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 10183998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).