3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide

C23H23FN4O — CID 113029367

IUPAC3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(F)c4)nc3)CC2)c1
InChIInChI=1S/C23H23FN4O/c1-17-4-2-7-20(14-17)27-10-12-28(13-11-27)21-8-9-22(25-16-21)26-23(29)18-5-3-6-19(24)15-18/h2-9,14-16H,10-13H2,1H3,(H,25,26,29)
InChIKeyGZXQHTAGKHRADQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.11
Rot. Bonds4

About 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide

3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide (PubChem CID 113029367) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
PubChem CID113029367
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(F)c4)nc3)CC2)c1
InChIInChI=1S/C23H23FN4O/c1-17-4-2-7-20(14-17)27-10-12-28(13-11-27)21-8-9-22(25-16-21)26-23(29)18-5-3-6-19(24)15-18/h2-9,14-16H,10-13H2,1H3,(H,25,26,29)
InChIKeyGZXQHTAGKHRADQ-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
CID 113029120
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029352
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide (CID 113029367) is 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide is Cc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(F)c4)nc3)CC2)c1.
What is the InChIKey of 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The InChIKey is GZXQHTAGKHRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-4-2-7-20(14-17)27-10-12-28(13-11-27)21-8-9-22(25-16-21)26-23(29)18-5-3-6-19(24)15-18/h2-9,14-16H,10-13H2,1H3,(H,25,26,29).
What are the key properties of 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 113029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).