1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide

C17H18N2O — CID 648906

IUPAC1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H18N2O/c20-16(19-15-8-12-18-13-9-15)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,20)
InChIKeyRXJJXWRZJDQNAJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds3

About 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide

1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide (PubChem CID 648906) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
PubChem CID648906
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H18N2O/c20-16(19-15-8-12-18-13-9-15)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,20)
InChIKeyRXJJXWRZJDQNAJ-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
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-4-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide (CID 648906) is 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide is O=C(Nc1ccncc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The InChIKey is RXJJXWRZJDQNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-16(19-15-8-12-18-13-9-15)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,20).
What are the key properties of 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 648906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).