N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide

C21H31N7O5S — CID 23390352

IUPACN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
SMILESCCCc1c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cnc2OCC)c(C(N)=O)nn1C
InChIInChI=1S/C21H31N7O5S/c1-5-7-16-17(18(19(22)29)25-27(16)4)24-20(30)15-12-14(13-23-21(15)33-6-2)34(31,32)28-10-8-26(3)9-11-28/h12-13H,5-11H2,1-4H3,(H2,22,29)(H,24,30)
InChIKeyZALZDMZLBLMWLS-UHFFFAOYSA-N
MW493.59 g/mol
LogP0.45
Rot. Bonds9

About N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide

N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide (PubChem CID 23390352) has the molecular formula C21H31N7O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
PubChem CID23390352
Molecular FormulaC21H31N7O5S
Molecular Weight493.59 g/mol
Exact Mass493.21
IUPAC NameN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
SMILESCCCc1c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cnc2OCC)c(C(N)=O)nn1C
InChIInChI=1S/C21H31N7O5S/c1-5-7-16-17(18(19(22)29)25-27(16)4)24-20(30)15-12-14(13-23-21(15)33-6-2)34(31,32)28-10-8-26(3)9-11-28/h12-13H,5-11H2,1-4H3,(H2,22,29)(H,24,30)
InChIKeyZALZDMZLBLMWLS-UHFFFAOYSA-N
XLogP0.45
TPSA152.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 141012525
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
1-[3-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)carbamoyl]-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid
CID 142097085
2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 58596086
2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 17122736
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 23503189
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
2-[1-[3-[(2-carbamoyl-1-methyl-4-propylpyrrol-3-yl)carbamoyl]-4-ethoxyphenyl]sulfonylpiperidin-4-yl]ethyl benzoate
CID 135385645
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135810290

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide (CID 23390352) is N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide is CCCc1c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cnc2OCC)c(C(N)=O)nn1C.
What is the InChIKey of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The InChIKey is ZALZDMZLBLMWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O5S/c1-5-7-16-17(18(19(22)29)25-27(16)4)24-20(30)15-12-14(13-23-21(15)33-6-2)34(31,32)28-10-8-26(3)9-11-28/h12-13H,5-11H2,1-4H3,(H2,22,29)(H,24,30).
What are the key properties of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 23390352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).