N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C21H29N5O4S — CID 33297886

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)ccc1=O
InChIInChI=1S/C21H29N5O4S/c1-4-12-26-20(27)11-9-17(23-26)21(28)22-18-15-16(8-10-19(18)24(2)3)31(29,30)25-13-6-5-7-14-25/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,28)
InChIKeyYUTJFNPOCUNMSK-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 33297886) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID33297886
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)ccc1=O
InChIInChI=1S/C21H29N5O4S/c1-4-12-26-20(27)11-9-17(23-26)21(28)22-18-15-16(8-10-19(18)24(2)3)31(29,30)25-13-6-5-7-14-25/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,28)
InChIKeyYUTJFNPOCUNMSK-UHFFFAOYSA-N
XLogP2.15
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 55311088
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31305119
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 33297886) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)ccc1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is YUTJFNPOCUNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-4-12-26-20(27)11-9-17(23-26)21(28)22-18-15-16(8-10-19(18)24(2)3)31(29,30)25-13-6-5-7-14-25/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 33297886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).