N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide

C18H20FN3O — CID 113028301

IUPACN-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCCc2ccc(F)cc2)cn1)C1CCC1
InChIInChI=1S/C18H20FN3O/c19-15-6-4-13(5-7-15)10-11-20-16-8-9-17(21-12-16)22-18(23)14-2-1-3-14/h4-9,12,14,20H,1-3,10-11H2,(H,21,22,23)
InChIKeyVUSSSZBZZKUVJU-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.61
Rot. Bonds6

About N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113028301) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113028301
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCCc2ccc(F)cc2)cn1)C1CCC1
InChIInChI=1S/C18H20FN3O/c19-15-6-4-13(5-7-15)10-11-20-16-8-9-17(21-12-16)22-18(23)14-2-1-3-14/h4-9,12,14,20H,1-3,10-11H2,(H,21,22,23)
InChIKeyVUSSSZBZZKUVJU-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113028252
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255
N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113024984
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide (CID 113028301) is N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(NCCc2ccc(F)cc2)cn1)C1CCC1.
What is the InChIKey of N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is VUSSSZBZZKUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-6-4-13(5-7-15)10-11-20-16-8-9-17(21-12-16)22-18(23)14-2-1-3-14/h4-9,12,14,20H,1-3,10-11H2,(H,21,22,23).
What are the key properties of N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113028301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).