N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide

C18H21FN4O — CID 34999665

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C18H21FN4O/c19-16-1-3-17(4-2-16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyHBRJQKKQLVXGLT-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.77
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 34999665) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID34999665
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C18H21FN4O/c19-16-1-3-17(4-2-16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyHBRJQKKQLVXGLT-UHFFFAOYSA-N
XLogP1.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-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

Daporinad
CID 6914657
Niaprazine
CID 71919
Tucidinostat
CID 12136798
Enisamium Iodide
CID 10089466
Srpin340
CID 2797577
N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide
CID 9800555
Tagorizine
CID 6436051
Kdoam-25
CID 91810435
Piberaline
CID 65975
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (CID 34999665) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is HBRJQKKQLVXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-1-3-17(4-2-16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 34999665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).