4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide

C19H20N4O2 — CID 30887020

IUPAC4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H20N4O2/c1-15-7-2-3-9-17(15)25-14-5-10-18(24)22-16-8-4-11-20-19(16)23-13-6-12-21-23/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,22,24)
InChIKeyQQMICUODXCBXGO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.37
Rot. Bonds7

About 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide

4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide (PubChem CID 30887020) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
PubChem CID30887020
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H20N4O2/c1-15-7-2-3-9-17(15)25-14-5-10-18(24)22-16-8-4-11-20-19(16)23-13-6-12-21-23/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,22,24)
InChIKeyQQMICUODXCBXGO-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.37
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-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 60584957
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 60968243
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60567720

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide (CID 30887020) is 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide is Cc1ccccc1OCCCC(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is QQMICUODXCBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15-7-2-3-9-17(15)25-14-5-10-18(24)22-16-8-4-11-20-19(16)23-13-6-12-21-23/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,22,24).
What are the key properties of 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 336.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 30887020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).