3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide

C18H22N4O — CID 136553112

IUPAC3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide
SMILESCc1ccc(CC2CN(C(=O)NCCc3cnccn3)C2)cc1
InChIInChI=1S/C18H22N4O/c1-14-2-4-15(5-3-14)10-16-12-22(13-16)18(23)21-7-6-17-11-19-8-9-20-17/h2-5,8-9,11,16H,6-7,10,12-13H2,1H3,(H,21,23)
InChIKeyPBBFUIMDCPZCCB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.21
Rot. Bonds5

About 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide

3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide (PubChem CID 136553112) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide
PubChem CID136553112
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide
SMILESCc1ccc(CC2CN(C(=O)NCCc3cnccn3)C2)cc1
InChIInChI=1S/C18H22N4O/c1-14-2-4-15(5-3-14)10-16-12-22(13-16)18(23)21-7-6-17-11-19-8-9-20-17/h2-5,8-9,11,16H,6-7,10,12-13H2,1H3,(H,21,23)
InChIKeyPBBFUIMDCPZCCB-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide (CID 136553112) is 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide is Cc1ccc(CC2CN(C(=O)NCCc3cnccn3)C2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide?
The InChIKey is PBBFUIMDCPZCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-2-4-15(5-3-14)10-16-12-22(13-16)18(23)21-7-6-17-11-19-8-9-20-17/h2-5,8-9,11,16H,6-7,10,12-13H2,1H3,(H,21,23).
What are the key properties of 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide?
3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 136553112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).