6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide

C22H20N6O3S — CID 134450248

IUPAC6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cccc(NS(C)(=O)=O)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C22H20N6O3S/c1-28-14-20(21(26-28)18-9-3-4-12-23-18)25-22(29)19-11-6-10-17(24-19)15-7-5-8-16(13-15)27-32(2,30)31/h3-14,27H,1-2H3,(H,25,29)
InChIKeyUNQLQIURCLHBCW-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.17
Rot. Bonds6

About 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide

6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450248) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450248
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cccc(NS(C)(=O)=O)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C22H20N6O3S/c1-28-14-20(21(26-28)18-9-3-4-12-23-18)25-22(29)19-11-6-10-17(24-19)15-7-5-8-16(13-15)27-32(2,30)31/h3-14,27H,1-2H3,(H,25,29)
InChIKeyUNQLQIURCLHBCW-UHFFFAOYSA-N
XLogP3.17
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450198
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
CID 134450226
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 134450290
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
CID 169144957
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 166221168
(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
CID 46204756
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 134450248) is 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cccc(NS(C)(=O)=O)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UNQLQIURCLHBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-28-14-20(21(26-28)18-9-3-4-12-23-18)25-22(29)19-11-6-10-17(24-19)15-7-5-8-16(13-15)27-32(2,30)31/h3-14,27H,1-2H3,(H,25,29).
What are the key properties of 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).