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

C20H22N4O2 — CID 31968271

IUPAC4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16-7-9-18(10-8-16)26-14-3-6-19(25)22-15-17-5-2-11-21-20(17)24-13-4-12-23-24/h2,4-5,7-13H,3,6,14-15H2,1H3,(H,22,25)
InChIKeyPTJUUPKXVLVJDC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds8

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

4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 31968271) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID31968271
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16-7-9-18(10-8-16)26-14-3-6-19(25)22-15-17-5-2-11-21-20(17)24-13-4-12-23-24/h2,4-5,7-13H,3,6,14-15H2,1H3,(H,22,25)
InChIKeyPTJUUPKXVLVJDC-UHFFFAOYSA-N
XLogP3.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
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

2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55652406
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919234
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55739333

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (CID 31968271) is 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is Cc1ccc(OCCCC(=O)NCc2cccnc2-n2cccn2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is PTJUUPKXVLVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16-7-9-18(10-8-16)26-14-3-6-19(25)22-15-17-5-2-11-21-20(17)24-13-4-12-23-24/h2,4-5,7-13H,3,6,14-15H2,1H3,(H,22,25).
What are the key properties of 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 31968271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).