6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C17H19FN4O — CID 174565375

IUPAC6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)12-21-6-8-22(9-7-21)16-5-4-14(11-20-16)17(19)23/h1-5,10-11H,6-9,12H2,(H2,19,23)
InChIKeyOJRPPZKEOWJJQE-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.64
Rot. Bonds4

About 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 174565375) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID174565375
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)12-21-6-8-22(9-7-21)16-5-4-14(11-20-16)17(19)23/h1-5,10-11H,6-9,12H2,(H2,19,23)
InChIKeyOJRPPZKEOWJJQE-UHFFFAOYSA-N
XLogP1.64
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]phenyl]methylideneamino]thiourea
CID 76572597
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56917221
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]benzoic acid
CID 122028627
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24704018
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 136520575
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 72934998
6-[4-[(1-methylindazol-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 143507222
(2S)-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 92987363
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 174565375) is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(Cc3cccc(F)c3)CC2)nc1.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is OJRPPZKEOWJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)12-21-6-8-22(9-7-21)16-5-4-14(11-20-16)17(19)23/h1-5,10-11H,6-9,12H2,(H2,19,23).
What are the key properties of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 174565375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).