N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide

C18H16Cl2N6O2 — CID 44824052

IUPACN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C18H16Cl2N6O2/c1-2-14(18(28)24-16-6-4-12(20)10-22-16)26-8-7-13(25-26)17(27)23-15-5-3-11(19)9-21-15/h3-10,14H,2H2,1H3,(H,21,23,27)(H,22,24,28)
InChIKeyVLSMWLFMPUJLMI-UHFFFAOYSA-N
MW419.27 g/mol
LogP3.82
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide (PubChem CID 44824052) has the molecular formula C18H16Cl2N6O2 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
PubChem CID44824052
Molecular FormulaC18H16Cl2N6O2
Molecular Weight419.27 g/mol
Exact Mass418.07
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C18H16Cl2N6O2/c1-2-14(18(28)24-16-6-4-12(20)10-22-16)26-8-7-13(25-26)17(27)23-15-5-3-11(19)9-21-15/h3-10,14H,2H2,1H3,(H,21,23,27)(H,22,24,28)
InChIKeyVLSMWLFMPUJLMI-UHFFFAOYSA-N
XLogP3.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide with MolForge

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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-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768459
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
N-[(3R)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
CID 165414984
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide (CID 44824052) is N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide is CCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is VLSMWLFMPUJLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O2/c1-2-14(18(28)24-16-6-4-12(20)10-22-16)26-8-7-13(25-26)17(27)23-15-5-3-11(19)9-21-15/h3-10,14H,2H2,1H3,(H,21,23,27)(H,22,24,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 44824052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).