N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide

C21H23N7O3S — CID 121027985

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)nn3)cc2)n1
InChIInChI=1S/C21H23N7O3S/c1-15-11-12-22-21(23-15)27-32(30,31)17-7-5-16(6-8-17)24-20(29)18-9-10-19(26-25-18)28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,24,29)(H,22,23,27)
InChIKeyYFNYXMSNGJVPKG-UHFFFAOYSA-N
MW453.53 g/mol
LogP2.62
Rot. Bonds6

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027985) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121027985
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)nn3)cc2)n1
InChIInChI=1S/C21H23N7O3S/c1-15-11-12-22-21(23-15)27-32(30,31)17-7-5-16(6-8-17)24-20(29)18-9-10-19(26-25-18)28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,24,29)(H,22,23,27)
InChIKeyYFNYXMSNGJVPKG-UHFFFAOYSA-N
XLogP2.62
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778513
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
3-(azepan-1-ylsulfonyl)-4-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 46771079
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 121067015
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38004597
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
5-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 2237376
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 17224394

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121027985) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)nn3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is YFNYXMSNGJVPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-15-11-12-22-21(23-15)27-32(30,31)17-7-5-16(6-8-17)24-20(29)18-9-10-19(26-25-18)28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,24,29)(H,22,23,27).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).