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

C19H23FN4O — CID 109179488

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H23FN4O/c1-14(2)22-19(25)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyLERBSHNWRSOUPK-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.69
Rot. Bonds4

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

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109179488) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109179488
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H23FN4O/c1-14(2)22-19(25)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyLERBSHNWRSOUPK-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-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179498
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (CID 109179488) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LERBSHNWRSOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(2)22-19(25)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-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-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109179488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).