2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

C22H26N4O2 — CID 55852845

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCc2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C22H26N4O2/c1-15(2)19-7-6-16(3)12-20(19)28-17(4)22(27)24-14-18-8-10-23-21(13-18)26-11-5-9-25-26/h5-13,15,17H,14H2,1-4H3,(H,24,27)
InChIKeyAJUOGNXXEGDIOK-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.78
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 55852845) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID55852845
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCc2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C22H26N4O2/c1-15(2)19-7-6-16(3)12-20(19)28-17(4)22(27)24-14-18-8-10-23-21(13-18)26-11-5-9-25-26/h5-13,15,17H,14H2,1-4H3,(H,24,27)
InChIKeyAJUOGNXXEGDIOK-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 100600862
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17013697
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819660
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (CID 55852845) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NCc2ccnc(-n3cccn3)c2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is AJUOGNXXEGDIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)19-7-6-16(3)12-20(19)28-17(4)22(27)24-14-18-8-10-23-21(13-18)26-11-5-9-25-26/h5-13,15,17H,14H2,1-4H3,(H,24,27).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55852845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).