N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide

C25H26FN5O2 — CID 133417321

IUPACN-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(CN1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1)Nc1ccccc1F
InChIInChI=1S/C25H26FN5O2/c26-21-8-4-5-9-22(21)29-24(32)18-30-12-14-31(15-13-30)20-10-11-27-23(16-20)25(33)28-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,33)(H,29,32)
InChIKeyJZHZGHZYESTVNY-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.91
Rot. Bonds7

About N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide

N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 133417321) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID133417321
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(CN1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1)Nc1ccccc1F
InChIInChI=1S/C25H26FN5O2/c26-21-8-4-5-9-22(21)29-24(32)18-30-12-14-31(15-13-30)20-10-11-27-23(16-20)25(33)28-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,33)(H,29,32)
InChIKeyJZHZGHZYESTVNY-UHFFFAOYSA-N
XLogP2.91
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide 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

N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417218
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide (CID 133417321) is N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide is O=C(CN1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1)Nc1ccccc1F.
What is the InChIKey of N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is JZHZGHZYESTVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-21-8-4-5-9-22(21)29-24(32)18-30-12-14-31(15-13-30)20-10-11-27-23(16-20)25(33)28-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,33)(H,29,32).
What are the key properties of N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133417321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).