N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C25H24N4O3 — CID 55635479

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C25H24N4O3/c1-31-15-16-32-24-12-11-21(17-26-24)28-25(30)23-6-3-2-5-22(23)20-9-7-19(8-10-20)18-29-14-4-13-27-29/h2-14,17H,15-16,18H2,1H3,(H,28,30)
InChIKeyPVYSBCNFWJOWHT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.27
Rot. Bonds9

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55635479) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55635479
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C25H24N4O3/c1-31-15-16-32-24-12-11-21(17-26-24)28-25(30)23-6-3-2-5-22(23)20-9-7-19(8-10-20)18-29-14-4-13-27-29/h2-14,17H,15-16,18H2,1H3,(H,28,30)
InChIKeyPVYSBCNFWJOWHT-UHFFFAOYSA-N
XLogP4.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630815
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 103752362
N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532036
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630570

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55635479) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is COCCOc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is PVYSBCNFWJOWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-15-16-32-24-12-11-21(17-26-24)28-25(30)23-6-3-2-5-22(23)20-9-7-19(8-10-20)18-29-14-4-13-27-29/h2-14,17H,15-16,18H2,1H3,(H,28,30).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55635479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).