N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide

C32H26Cl2N6O3 — CID 58202370

IUPACN-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NCC(=O)N(c2ccccc2)c2ccccc2)n(-c2ncccc2Cl)n1
InChIInChI=1S/C32H26Cl2N6O3/c1-20-16-22(33)18-25(29(20)37-32(43)27-17-21(2)38-40(27)30-26(34)14-9-15-35-30)31(42)36-19-28(41)39(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18H,19H2,1-2H3,(H,36,42)(H,37,43)
InChIKeyDKJGMDFLMOMJEC-UHFFFAOYSA-N
MW613.51 g/mol
LogP6.54
Rot. Bonds8

About N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide

N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (PubChem CID 58202370) has the molecular formula C32H26Cl2N6O3 and a molecular weight of 613.51 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
PubChem CID58202370
Molecular FormulaC32H26Cl2N6O3
Molecular Weight613.51 g/mol
Exact Mass612.14
IUPAC NameN-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NCC(=O)N(c2ccccc2)c2ccccc2)n(-c2ncccc2Cl)n1
InChIInChI=1S/C32H26Cl2N6O3/c1-20-16-22(33)18-25(29(20)37-32(43)27-17-21(2)38-40(27)30-26(34)14-9-15-35-30)31(42)36-19-28(41)39(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18H,19H2,1-2H3,(H,36,42)(H,37,43)
InChIKeyDKJGMDFLMOMJEC-UHFFFAOYSA-N
XLogP6.54
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.51
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (CID 58202370) is N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NCC(=O)N(c2ccccc2)c2ccccc2)n(-c2ncccc2Cl)n1.
What is the InChIKey of N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is DKJGMDFLMOMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N6O3/c1-20-16-22(33)18-25(29(20)37-32(43)27-17-21(2)38-40(27)30-26(34)14-9-15-35-30)31(42)36-19-28(41)39(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18H,19H2,1-2H3,(H,36,42)(H,37,43).
What are the key properties of N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 613.51 g/mol, XLogP of 6.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58202370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).