N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide

C14H16N4O3S — CID 46533069

IUPACN-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1
InChIInChI=1S/C14H16N4O3S/c1-10-7-16-13(9-15-10)14(19)17-8-11-4-3-5-12(6-11)18-22(2,20)21/h3-7,9,18H,8H2,1-2H3,(H,17,19)
InChIKeyZPRNGCMKGGGHGA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.09
Rot. Bonds5

About N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide

N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 46533069) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID46533069
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1
InChIInChI=1S/C14H16N4O3S/c1-10-7-16-13(9-15-10)14(19)17-8-11-4-3-5-12(6-11)18-22(2,20)21/h3-7,9,18H,8H2,1-2H3,(H,17,19)
InChIKeyZPRNGCMKGGGHGA-UHFFFAOYSA-N
XLogP1.09
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide (CID 46533069) is N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1.
What is the InChIKey of N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZPRNGCMKGGGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-10-7-16-13(9-15-10)14(19)17-8-11-4-3-5-12(6-11)18-22(2,20)21/h3-7,9,18H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 46533069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).