3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

C16H17FN4O — CID 119494063

IUPAC3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O/c17-13-3-1-2-12(10-13)16(22)20-15-5-4-14(11-19-15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2,(H,19,20,22)
InChIKeyLWIARVQAMJXSOF-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.88
Rot. Bonds3

About 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (PubChem CID 119494063) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
PubChem CID119494063
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O/c17-13-3-1-2-12(10-13)16(22)20-15-5-4-14(11-19-15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2,(H,19,20,22)
InChIKeyLWIARVQAMJXSOF-UHFFFAOYSA-N
XLogP1.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
CID 113029120
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
3-tert-butyl-N-(5-fluoro-2-pyridinyl)-5-piperazin-1-ylbenzamide
CID 70645866
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (CID 119494063) is 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is O=C(Nc1ccc(N2CCNCC2)cn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The InChIKey is LWIARVQAMJXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-3-1-2-12(10-13)16(22)20-15-5-4-14(11-19-15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2,(H,19,20,22).
What are the key properties of 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 119494063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).