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

C17H14Cl2N6O2 — CID 44823978

IUPACN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-14-4-2-11(18)8-20-14)25-7-6-13(24-25)17(27)23-15-5-3-12(19)9-21-15/h2-10H,1H3,(H,20,22,26)(H,21,23,27)
InChIKeyPCCITADBLHNNPC-UHFFFAOYSA-N
MW405.25 g/mol
LogP3.43
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 44823978) has the molecular formula C17H14Cl2N6O2 and a molecular weight of 405.25 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
PubChem CID44823978
Molecular FormulaC17H14Cl2N6O2
Molecular Weight405.25 g/mol
Exact Mass404.06
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-14-4-2-11(18)8-20-14)25-7-6-13(24-25)17(27)23-15-5-3-12(19)9-21-15/h2-10H,1H3,(H,20,22,26)(H,21,23,27)
InChIKeyPCCITADBLHNNPC-UHFFFAOYSA-N
XLogP3.43
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-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
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
N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259262
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
4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
CID 32951968

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 44823978) is N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide is CC(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-oxopropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is PCCITADBLHNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-14-4-2-11(18)8-20-14)25-7-6-13(24-25)17(27)23-15-5-3-12(19)9-21-15/h2-10H,1H3,(H,20,22,26)(H,21,23,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 405.25 g/mol, XLogP of 3.43, 5 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-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 44823978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).