4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide

C25H26FN5O2 — CID 15982501

IUPAC4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H26FN5O2/c26-22-4-2-1-3-20(22)17-30-13-15-31(16-14-30)25(33)23(27)18-5-7-19(8-6-18)24(32)29-21-9-11-28-12-10-21/h1-12,23H,13-17,27H2,(H,28,29,32)
InChIKeyDCANURFLSZZGQM-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.82
Rot. Bonds6

About 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide (PubChem CID 15982501) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
PubChem CID15982501
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H26FN5O2/c26-22-4-2-1-3-20(22)17-30-13-15-31(16-14-30)25(33)23(27)18-5-7-19(8-6-18)24(32)29-21-9-11-28-12-10-21/h1-12,23H,13-17,27H2,(H,28,29,32)
InChIKeyDCANURFLSZZGQM-UHFFFAOYSA-N
XLogP2.82
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982627
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537184
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983905
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide (CID 15982501) is 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide is NC(C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is DCANURFLSZZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-22-4-2-1-3-20(22)17-30-13-15-31(16-14-30)25(33)23(27)18-5-7-19(8-6-18)24(32)29-21-9-11-28-12-10-21/h1-12,23H,13-17,27H2,(H,28,29,32).
What are the key properties of 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15982501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).