N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide

C30H32FN3O — CID 123757455

IUPACN-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H32FN3O/c31-25-9-7-24(8-10-25)27-19-32-29(34-28(35)11-6-20-4-2-1-3-5-20)26(33-27)18-30-15-21-12-22(16-30)14-23(13-21)17-30/h1-5,7-10,19,21-23H,6,11-18H2,(H,32,34,35)
InChIKeyDXQDBSKQXQHZHK-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.61
Rot. Bonds7

About N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide

N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 123757455) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide
PubChem CID123757455
Molecular FormulaC30H32FN3O
Molecular Weight469.60 g/mol
Exact Mass469.25
IUPAC NameN-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H32FN3O/c31-25-9-7-24(8-10-25)27-19-32-29(34-28(35)11-6-20-4-2-1-3-5-20)26(33-27)18-30-15-21-12-22(16-30)14-23(13-21)17-30/h1-5,7-10,19,21-23H,6,11-18H2,(H,32,34,35)
InChIKeyDXQDBSKQXQHZHK-UHFFFAOYSA-N
XLogP6.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-benzyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123596741
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
4-[5-[[2-(4-fluorophenyl)acetyl]amino]-6-(2-phenylethyl)pyrazin-2-yl]benzoyl azide
CID 143000252
N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide
CID 160783148
N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide
CID 143000203
N-[5-(4-aminophenyl)-3-[(3,5,8-trimethyl-3-bicyclo[7.1.0]dec-8-enyl)methyl]pyrazin-2-yl]-4-phenylbutanamide
CID 143000878
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830199
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]octanamide
CID 101152388
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-phenylpropanamide
CID 159051784
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide (CID 123757455) is N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide?
The InChIKey is DXQDBSKQXQHZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O/c31-25-9-7-24(8-10-25)27-19-32-29(34-28(35)11-6-20-4-2-1-3-5-20)26(33-27)18-30-15-21-12-22(16-30)14-23(13-21)17-30/h1-5,7-10,19,21-23H,6,11-18H2,(H,32,34,35).
What are the key properties of N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide?
N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide has a molecular weight of 469.60 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 123757455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).