N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide

C17H18FN3O2 — CID 647981

IUPACN-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide
SMILESCCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FN3O2/c1-3-5-16(22)20-14-10-19-15(8-11(14)2)21-17(23)12-6-4-7-13(18)9-12/h4,6-10H,3,5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyZKBSOBUAVJKJIX-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.52
Rot. Bonds5

About N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide

N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide (PubChem CID 647981) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide
PubChem CID647981
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide
SMILESCCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FN3O2/c1-3-5-16(22)20-14-10-19-15(8-11(14)2)21-17(23)12-6-4-7-13(18)9-12/h4,6-10H,3,5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyZKBSOBUAVJKJIX-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide (CID 647981) is N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide is CCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is ZKBSOBUAVJKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-3-5-16(22)20-14-10-19-15(8-11(14)2)21-17(23)12-6-4-7-13(18)9-12/h4,6-10H,3,5H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide?
N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 315.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-4-methyl-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 647981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).