N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C19H23FN4O — CID 109230260

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)NCCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-23-8-10-24(11-9-23)18-12-16(13-21-14-18)19(25)22-7-6-15-2-4-17(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,22,25)
InChIKeyGAOWAUSNFNVZSK-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230260) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230260
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)NCCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-23-8-10-24(11-9-23)18-12-16(13-21-14-18)19(25)22-7-6-15-2-4-17(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,22,25)
InChIKeyGAOWAUSNFNVZSK-UHFFFAOYSA-N
XLogP1.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109231183
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230260) is N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2cncc(C(=O)NCCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is GAOWAUSNFNVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23-8-10-24(11-9-23)18-12-16(13-21-14-18)19(25)22-7-6-15-2-4-17(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).