5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

C19H23FN4O — CID 109223224

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H23FN4O/c1-14(2)22-19(25)15-11-16(13-21-12-15)23-7-9-24(10-8-23)18-6-4-3-5-17(18)20/h3-6,11-14H,7-10H2,1-2H3,(H,22,25)
InChIKeyJGCNCTGPCMLHIR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.69
Rot. Bonds4

About 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223224) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223224
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H23FN4O/c1-14(2)22-19(25)15-11-16(13-21-12-15)23-7-9-24(10-8-23)18-6-4-3-5-17(18)20/h3-6,11-14H,7-10H2,1-2H3,(H,22,25)
InChIKeyJGCNCTGPCMLHIR-UHFFFAOYSA-N
XLogP2.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106695
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 109223224) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JGCNCTGPCMLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(2)22-19(25)15-11-16(13-21-12-15)23-7-9-24(10-8-23)18-6-4-3-5-17(18)20/h3-6,11-14H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).