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

C25H23N5O3 — CID 25161979

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1
InChIInChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-9-6-12-21(14-19)33-2)25(32)22-16-30(20-10-4-3-5-11-20)28-24(22)18-8-7-13-26-15-18/h3-16H,17H2,1-2H3,(H,27,31)
InChIKeyRMVKEHHZEWNQPC-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.65
Rot. Bonds7

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

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 25161979) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID25161979
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1
InChIInChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-9-6-12-21(14-19)33-2)25(32)22-16-30(20-10-4-3-5-11-20)28-24(22)18-8-7-13-26-15-18/h3-16H,17H2,1-2H3,(H,27,31)
InChIKeyRMVKEHHZEWNQPC-UHFFFAOYSA-N
XLogP3.65
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 25161979) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is RMVKEHHZEWNQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-9-6-12-21(14-19)33-2)25(32)22-16-30(20-10-4-3-5-11-20)28-24(22)18-8-7-13-26-15-18/h3-16H,17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25161979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).