N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C25H22ClN5O3 — CID 24981081

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H22ClN5O3/c1-30(16-23(32)28-21-13-18(26)10-11-22(21)34-2)25(33)20-15-31(19-8-4-3-5-9-19)29-24(20)17-7-6-12-27-14-17/h3-15H,16H2,1-2H3,(H,28,32)
InChIKeyCIOMRBWBEWWLJP-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 24981081) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID24981081
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H22ClN5O3/c1-30(16-23(32)28-21-13-18(26)10-11-22(21)34-2)25(33)20-15-31(19-8-4-3-5-9-19)29-24(20)17-7-6-12-27-14-17/h3-15H,16H2,1-2H3,(H,28,32)
InChIKeyCIOMRBWBEWWLJP-UHFFFAOYSA-N
XLogP4.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 24981081) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is CIOMRBWBEWWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-30(16-23(32)28-21-13-18(26)10-11-22(21)34-2)25(33)20-15-31(19-8-4-3-5-9-19)29-24(20)17-7-6-12-27-14-17/h3-15H,16H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24981081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).