N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide

C17H12Cl4N6O2 — CID 44824096

IUPACN-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1ncc(Cl)cc1Cl)n1ccc(C(=O)Nc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl4N6O2/c1-8(16(28)24-14-11(20)4-9(18)6-22-14)27-3-2-13(26-27)17(29)25-15-12(21)5-10(19)7-23-15/h2-8H,1H3,(H,22,24,28)(H,23,25,29)
InChIKeyOLOIKNGTVDEFBT-UHFFFAOYSA-N
MW474.14 g/mol
LogP4.74
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide

N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 44824096) has the molecular formula C17H12Cl4N6O2 and a molecular weight of 474.14 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
PubChem CID44824096
Molecular FormulaC17H12Cl4N6O2
Molecular Weight474.14 g/mol
Exact Mass471.98
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1ncc(Cl)cc1Cl)n1ccc(C(=O)Nc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl4N6O2/c1-8(16(28)24-14-11(20)4-9(18)6-22-14)27-3-2-13(26-27)17(29)25-15-12(21)5-10(19)7-23-15/h2-8H,1H3,(H,22,24,28)(H,23,25,29)
InChIKeyOLOIKNGTVDEFBT-UHFFFAOYSA-N
XLogP4.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.14
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54760195
6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415259
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 725806
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322
N-(5-Chloropyridin-2-yl)pyrazole-3-carboxamide
CID 16667292
N-(6-amino-5-(2,5-dichlorophenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25155168
4-bromo-N-(5-chloropyridin-2-yl)-2-ethylpyrazole-3-carboxamide
CID 892191
6-chloro-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415261
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 823264
1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
CID 71580019
N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580126
N-(5-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580230

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 44824096) is N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide is CC(C(=O)Nc1ncc(Cl)cc1Cl)n1ccc(C(=O)Nc2ncc(Cl)cc2Cl)n1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is OLOIKNGTVDEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N6O2/c1-8(16(28)24-14-11(20)4-9(18)6-22-14)27-3-2-13(26-27)17(29)25-15-12(21)5-10(19)7-23-15/h2-8H,1H3,(H,22,24,28)(H,23,25,29).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 474.14 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-1-[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 44824096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).