5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C24H32FN5O2 — CID 86890436

IUPAC5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC(=O)c2ccc(C(=O)N(C)C)nc2C)CC1
InChIInChI=1S/C24H32FN5O2/c1-6-29-11-13-30(14-12-29)22-10-7-18(25)15-20(22)17(3)27-23(31)19-8-9-21(26-16(19)2)24(32)28(4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,27,31)
InChIKeyRZWAHPQVZDSFHR-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.86
Rot. Bonds6

About 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86890436) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86890436
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC(=O)c2ccc(C(=O)N(C)C)nc2C)CC1
InChIInChI=1S/C24H32FN5O2/c1-6-29-11-13-30(14-12-29)22-10-7-18(25)15-20(22)17(3)27-23(31)19-8-9-21(26-16(19)2)24(32)28(4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,27,31)
InChIKeyRZWAHPQVZDSFHR-UHFFFAOYSA-N
XLogP2.86
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide 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

(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
1-[(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-pyridin-2-ylurea
CID 52516092
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152
N'-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86875840
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 75471695
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 111696050

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86890436) is 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is CCN1CCN(c2ccc(F)cc2C(C)NC(=O)c2ccc(C(=O)N(C)C)nc2C)CC1.
What is the InChIKey of 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is RZWAHPQVZDSFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-6-29-11-13-30(14-12-29)22-10-7-18(25)15-20(22)17(3)27-23(31)19-8-9-21(26-16(19)2)24(32)28(4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,27,31).
What are the key properties of 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).