1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide

C22H26N2O — CID 138609066

IUPAC1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)CCC1
InChIInChI=1S/C22H26N2O/c1-2-14-23-21(25)22(12-3-13-22)19-9-6-16(7-10-19)18-8-11-20(24-15-18)17-4-5-17/h6-11,15,17H,2-5,12-14H2,1H3,(H,23,25)
InChIKeyJMIATRVKSDHSKW-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.57
Rot. Bonds6

About 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide

1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide (PubChem CID 138609066) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide
PubChem CID138609066
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)CCC1
InChIInChI=1S/C22H26N2O/c1-2-14-23-21(25)22(12-3-13-22)19-9-6-16(7-10-19)18-8-11-20(24-15-18)17-4-5-17/h6-11,15,17H,2-5,12-14H2,1H3,(H,23,25)
InChIKeyJMIATRVKSDHSKW-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide (CID 138609066) is 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide is CCCNC(=O)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)CCC1.
What is the InChIKey of 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide?
The InChIKey is JMIATRVKSDHSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-14-23-21(25)22(12-3-13-22)19-9-6-16(7-10-19)18-8-11-20(24-15-18)17-4-5-17/h6-11,15,17H,2-5,12-14H2,1H3,(H,23,25).
What are the key properties of 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide?
1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 138609066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).