N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C18H20N6O3S — CID 157015006

IUPACN-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(CNS(C)(=O)=O)ccn2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N6O3S/c1-13-16(12-22-24(13)17-5-3-4-7-20-17)18(25)21-11-15-9-14(6-8-19-15)10-23-28(2,26)27/h3-9,12,23H,10-11H2,1-2H3,(H,21,25)
InChIKeyWVULHRKQCAHVKK-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.95
Rot. Bonds7

About N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 157015006) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID157015006
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(CNS(C)(=O)=O)ccn2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N6O3S/c1-13-16(12-22-24(13)17-5-3-4-7-20-17)18(25)21-11-15-9-14(6-8-19-15)10-23-28(2,26)27/h3-9,12,23H,10-11H2,1-2H3,(H,21,25)
InChIKeyWVULHRKQCAHVKK-UHFFFAOYSA-N
XLogP0.95
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55945165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 157015006) is N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cc(CNS(C)(=O)=O)ccn2)cnn1-c1ccccn1.
What is the InChIKey of N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is WVULHRKQCAHVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-13-16(12-22-24(13)17-5-3-4-7-20-17)18(25)21-11-15-9-14(6-8-19-15)10-23-28(2,26)27/h3-9,12,23H,10-11H2,1-2H3,(H,21,25).
What are the key properties of N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 157015006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).