N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide

C17H18FN3O — CID 113027038

IUPACN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)cn1)C1CCC1
InChIInChI=1S/C17H18FN3O/c18-15-7-2-1-4-13(15)10-19-14-8-9-16(20-11-14)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12,19H,3,5-6,10H2,(H,20,21,22)
InChIKeyUQBAFWOCLOBBOA-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.57
Rot. Bonds5

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

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113027038) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113027038
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)cn1)C1CCC1
InChIInChI=1S/C17H18FN3O/c18-15-7-2-1-4-13(15)10-19-14-8-9-16(20-11-14)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12,19H,3,5-6,10H2,(H,20,21,22)
InChIKeyUQBAFWOCLOBBOA-UHFFFAOYSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (CID 113027038) is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(NCc2ccccc2F)cn1)C1CCC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is UQBAFWOCLOBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-7-2-1-4-13(15)10-19-14-8-9-16(20-11-14)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12,19H,3,5-6,10H2,(H,20,21,22).
What are the key properties of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113027038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).