2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide

C25H25FN4O2 — CID 39290700

IUPAC2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-18-9-10-19(16-23(18)28-24(31)21-7-2-3-8-22(21)26)25(32)30-14-12-29(13-15-30)17-20-6-4-5-11-27-20/h2-11,16H,12-15,17H2,1H3,(H,28,31)
InChIKeyOSWVYRLREDHKOT-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.74
Rot. Bonds5

About 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide

2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 39290700) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID39290700
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-18-9-10-19(16-23(18)28-24(31)21-7-2-3-8-22(21)26)25(32)30-14-12-29(13-15-30)17-20-6-4-5-11-27-20/h2-11,16H,12-15,17H2,1H3,(H,28,31)
InChIKeyOSWVYRLREDHKOT-UHFFFAOYSA-N
XLogP3.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-methyl-5-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 56543165
N-[5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 78875548
3-fluoro-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119259430
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
(5-amino-2-methylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 120647849
tert-butyl 4-[2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55991289
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 142611651
(2R,3R)-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115383
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 75462777

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide (CID 39290700) is 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide is Cc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is OSWVYRLREDHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-18-9-10-19(16-23(18)28-24(31)21-7-2-3-8-22(21)26)25(32)30-14-12-29(13-15-30)17-20-6-4-5-11-27-20/h2-11,16H,12-15,17H2,1H3,(H,28,31).
What are the key properties of 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 39290700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).