N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide

C16H16FN3O2 — CID 644579

IUPACN-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H16FN3O2/c1-2-4-15(21)20-14-8-7-13(10-18-14)19-16(22)11-5-3-6-12(17)9-11/h3,5-10H,2,4H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQDIJMBSZTMFCPZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.21
Rot. Bonds5

About N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 644579) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID644579
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H16FN3O2/c1-2-4-15(21)20-14-8-7-13(10-18-14)19-16(22)11-5-3-6-12(17)9-11/h3,5-10H,2,4H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQDIJMBSZTMFCPZ-UHFFFAOYSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide (CID 644579) is N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide is CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is QDIJMBSZTMFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-2-4-15(21)20-14-8-7-13(10-18-14)19-16(22)11-5-3-6-12(17)9-11/h3,5-10H,2,4H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 301.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 644579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).