N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

C24H19N5O3 — CID 135355690

IUPACN-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1
InChIInChI=1S/C24H19N5O3/c1-28-14-21(20(11-23(28)30)16-7-9-18(32-2)10-8-16)17-12-27-29(13-17)22-6-4-3-5-19(22)24(31)26-15-25/h3-14H,1-2H3,(H,26,31)
InChIKeyVWMZAMDLJBLTOP-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.12
Rot. Bonds5

About N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (PubChem CID 135355690) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
PubChem CID135355690
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1
InChIInChI=1S/C24H19N5O3/c1-28-14-21(20(11-23(28)30)16-7-9-18(32-2)10-8-16)17-12-27-29(13-17)22-6-4-3-5-19(22)24(31)26-15-25/h3-14H,1-2H3,(H,26,31)
InChIKeyVWMZAMDLJBLTOP-UHFFFAOYSA-N
XLogP3.12
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (CID 135355690) is N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1.
What is the InChIKey of N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The InChIKey is VWMZAMDLJBLTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-28-14-21(20(11-23(28)30)16-7-9-18(32-2)10-8-16)17-12-27-29(13-17)22-6-4-3-5-19(22)24(31)26-15-25/h3-14H,1-2H3,(H,26,31).
What are the key properties of N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide has a molecular weight of 425.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[4-[4-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 135355690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).