4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

C18H18N4O2 — CID 25333573

IUPAC4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H18N4O2/c23-18(8-4-13-24-16-6-2-1-3-7-16)21-15-9-10-17(19-14-15)22-12-5-11-20-22/h1-3,5-7,9-12,14H,4,8,13H2,(H,21,23)
InChIKeyKQONFPFZVVQMHB-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.07
Rot. Bonds7

About 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (PubChem CID 25333573) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
PubChem CID25333573
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H18N4O2/c23-18(8-4-13-24-16-6-2-1-3-7-16)21-15-9-10-17(19-14-15)22-12-5-11-20-22/h1-3,5-7,9-12,14H,4,8,13H2,(H,21,23)
InChIKeyKQONFPFZVVQMHB-UHFFFAOYSA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (CID 25333573) is 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is O=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is KQONFPFZVVQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(8-4-13-24-16-6-2-1-3-7-16)21-15-9-10-17(19-14-15)22-12-5-11-20-22/h1-3,5-7,9-12,14H,4,8,13H2,(H,21,23).
What are the key properties of 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 322.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 25333573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).