4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid

C19H21FN4O3 — CID 154771496

IUPAC4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1
InChIInChI=1S/C19H21FN4O3/c20-16-4-2-1-3-15(16)18(25)22-7-8-23-9-11-24(12-10-23)14-5-6-21-17(13-14)19(26)27/h1-6,13H,7-12H2,(H,22,25)(H,26,27)
InChIKeyWCSBKVMUPGTJMH-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.47
Rot. Bonds6

About 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid

4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 154771496) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID154771496
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1
InChIInChI=1S/C19H21FN4O3/c20-16-4-2-1-3-15(16)18(25)22-7-8-23-9-11-24(12-10-23)14-5-6-21-17(13-14)19(26)27/h1-6,13H,7-12H2,(H,22,25)(H,26,27)
InChIKeyWCSBKVMUPGTJMH-UHFFFAOYSA-N
XLogP1.47
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4'-[(2-Aminoethyl)carbamoyl]-2,2'-Bipyridine-4-Carboxylic Acid
CID 45377880
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
3-{[(4-Fluorobenzyl)amino]carbonyl}pyridine-2-carboxylic acid
CID 20866734
N-[2-[(3S)-3-[[4-hydroxy-4-(4-methylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11214277
N-(2-{(3S)-3-[(4-hydroxy-4-pyridin-2-ylcyclohexyl)amino]pyrrolidin-1-yl}-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 11409228
N-[2-[(3S)-3-[[4-hydroxy-4-(5-methylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11752457
N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57395217
2-[[[(3R)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 91938043
2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118420859
2-[[[(3S)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 127030272
3-(N-(4-(Dimethylamino)phenyl)carbamoyl)pyridine-2-carboxylic acid
CID 4157878

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 154771496) is 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cc(N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1.
What is the InChIKey of 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WCSBKVMUPGTJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-16-4-2-1-3-15(16)18(25)22-7-8-23-9-11-24(12-10-23)14-5-6-21-17(13-14)19(26)27/h1-6,13H,7-12H2,(H,22,25)(H,26,27).
What are the key properties of 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid?
4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154771496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).