5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

C21H24N4O2 — CID 60584957

IUPAC5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)Nc2cccnc2-n2cccn2)c1
InChIInChI=1S/C21H24N4O2/c1-16-9-10-17(2)19(15-16)27-14-4-3-8-20(26)24-18-7-5-11-22-21(18)25-13-6-12-23-25/h5-7,9-13,15H,3-4,8,14H2,1-2H3,(H,24,26)
InChIKeyHCZXODQBJFLNTG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.07
Rot. Bonds8

About 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (PubChem CID 60584957) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
PubChem CID60584957
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)Nc2cccnc2-n2cccn2)c1
InChIInChI=1S/C21H24N4O2/c1-16-9-10-17(2)19(15-16)27-14-4-3-8-20(26)24-18-7-5-11-22-21(18)25-13-6-12-23-25/h5-7,9-13,15H,3-4,8,14H2,1-2H3,(H,24,26)
InChIKeyHCZXODQBJFLNTG-UHFFFAOYSA-N
XLogP4.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.07
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-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
CID 30885035
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (CID 60584957) is 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is Cc1ccc(C)c(OCCCCC(=O)Nc2cccnc2-n2cccn2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The InChIKey is HCZXODQBJFLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-9-10-17(2)19(15-16)27-14-4-3-8-20(26)24-18-7-5-11-22-21(18)25-13-6-12-23-25/h5-7,9-13,15H,3-4,8,14H2,1-2H3,(H,24,26).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide has a molecular weight of 364.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is sourced from PubChem (CID 60584957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).