2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide

C21H24N4O — CID 24764921

IUPAC2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C21H24N4O/c1-14(2)17-6-4-16(5-7-17)10-21(26)25-15(3)20-9-8-18(11-22-20)19-12-23-24-13-19/h4-9,11-15H,10H2,1-3H3,(H,23,24)(H,25,26)/t15-/m1/s1
InChIKeyXKEXOGQUFLJROB-OAHLLOKOSA-N
MW348.45 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide

2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 24764921) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
PubChem CID24764921
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C21H24N4O/c1-14(2)17-6-4-16(5-7-17)10-21(26)25-15(3)20-9-8-18(11-22-20)19-12-23-24-13-19/h4-9,11-15H,10H2,1-3H3,(H,23,24)(H,25,26)/t15-/m1/s1
InChIKeyXKEXOGQUFLJROB-OAHLLOKOSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 74827168
N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 76655354
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 167973392
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide (CID 24764921) is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide is CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(-c3cn[nH]c3)cn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is XKEXOGQUFLJROB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)17-6-4-16(5-7-17)10-21(26)25-15(3)20-9-8-18(11-22-20)19-12-23-24-13-19/h4-9,11-15H,10H2,1-3H3,(H,23,24)(H,25,26)/t15-/m1/s1.
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 24764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).