1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

C17H18N2O — CID 24672066

IUPAC1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H18N2O/c20-16(19-13-15-9-4-5-12-18-15)17(10-6-11-17)14-7-2-1-3-8-14/h1-5,7-9,12H,6,10-11,13H2,(H,19,20)
InChIKeyHOQXPCSWIIZJLY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.82
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 24672066) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID24672066
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H18N2O/c20-16(19-13-15-9-4-5-12-18-15)17(10-6-11-17)14-7-2-1-3-8-14/h1-5,7-9,12H,6,10-11,13H2,(H,19,20)
InChIKeyHOQXPCSWIIZJLY-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (CID 24672066) is 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1ccccn1)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is HOQXPCSWIIZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-16(19-13-15-9-4-5-12-18-15)17(10-6-11-17)14-7-2-1-3-8-14/h1-5,7-9,12H,6,10-11,13H2,(H,19,20).
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 24672066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).