N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide

C16H15FN2O — CID 134161068

IUPACN-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(C2CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-14-6-4-13(5-7-14)16(20)19-10-11-1-8-15(18-9-11)12-2-3-12/h1,4-9,12H,2-3,10H2,(H,19,20)
InChIKeyZKLZYBRATNTADF-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.03
Rot. Bonds4

About N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide

N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide (PubChem CID 134161068) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
PubChem CID134161068
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(C2CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-14-6-4-13(5-7-14)16(20)19-10-11-1-8-15(18-9-11)12-2-3-12/h1,4-9,12H,2-3,10H2,(H,19,20)
InChIKeyZKLZYBRATNTADF-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 134160703
1-acetyl-N-[(6-cyclopropyl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134160793
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796645
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948246

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide (CID 134161068) is N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide is O=C(NCc1ccc(C2CC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide?
The InChIKey is ZKLZYBRATNTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-6-4-13(5-7-14)16(20)19-10-11-1-8-15(18-9-11)12-2-3-12/h1,4-9,12H,2-3,10H2,(H,19,20).
What are the key properties of N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide?
N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide has a molecular weight of 270.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 134161068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).