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

C20H25FN4O — CID 109174480

IUPACN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-3-23(4-2)20(26)16-9-10-22-19(15-16)25-13-11-24(12-14-25)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyVEQAOGLPBUMBFW-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.03
Rot. Bonds5

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

N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide (PubChem CID 109174480) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
PubChem CID109174480
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-3-23(4-2)20(26)16-9-10-22-19(15-16)25-13-11-24(12-14-25)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyVEQAOGLPBUMBFW-UHFFFAOYSA-N
XLogP3.03
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethylpyridine-4-carboxamide
CID 109174358
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
CID 171334290
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide (CID 109174480) is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide is CCN(CC)C(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is VEQAOGLPBUMBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-3-23(4-2)20(26)16-9-10-22-19(15-16)25-13-11-24(12-14-25)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide?
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 109174480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).