N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

C21H25FN4O2 — CID 109106695

IUPACN-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)24-19(27)15-12-16(14-23-13-15)20(28)26-10-8-25(9-11-26)18-7-5-4-6-17(18)22/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)
InChIKeyQXTKYRXYAWADHF-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.71
Rot. Bonds3

About N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 109106695) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
PubChem CID109106695
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)24-19(27)15-12-16(14-23-13-15)20(28)26-10-8-25(9-11-26)18-7-5-4-6-17(18)22/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)
InChIKeyQXTKYRXYAWADHF-UHFFFAOYSA-N
XLogP2.71
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
N-tert-butyl-3-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111148762
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (CID 109106695) is N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is QXTKYRXYAWADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2,3)24-19(27)15-12-16(14-23-13-15)20(28)26-10-8-25(9-11-26)18-7-5-4-6-17(18)22/h4-7,12-14H,8-11H2,1-3H3,(H,24,27).
What are the key properties of N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 109106695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).