2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide

C19H20BrFN4O2 — CID 60622967

IUPAC2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)CCc2ccc(Br)cc2F)CC1
InChIInChI=1S/C19H20BrFN4O2/c20-14-5-3-13(16(21)12-14)4-6-17(26)24-8-10-25(11-9-24)19-15(18(22)27)2-1-7-23-19/h1-3,5,7,12H,4,6,8-11H2,(H2,22,27)
InChIKeyZTAYSYWQVJNKOU-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 60622967) has the molecular formula C19H20BrFN4O2 and a molecular weight of 435.30 g/mol. Its IUPAC name is 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID60622967
Molecular FormulaC19H20BrFN4O2
Molecular Weight435.30 g/mol
Exact Mass434.08
IUPAC Name2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)CCc2ccc(Br)cc2F)CC1
InChIInChI=1S/C19H20BrFN4O2/c20-14-5-3-13(16(21)12-14)4-6-17(26)24-8-10-25(11-9-24)19-15(18(22)27)2-1-7-23-19/h1-3,5,7,12H,4,6,8-11H2,(H2,22,27)
InChIKeyZTAYSYWQVJNKOU-UHFFFAOYSA-N
XLogP2.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 35372699
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 60588737
2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131943936
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 43385187
(4-bromo-2-fluorophenyl) 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 9114502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 60622967) is 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C(=O)CCc2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZTAYSYWQVJNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN4O2/c20-14-5-3-13(16(21)12-14)4-6-17(26)24-8-10-25(11-9-24)19-15(18(22)27)2-1-7-23-19/h1-3,5,7,12H,4,6,8-11H2,(H2,22,27).
What are the key properties of 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 60622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).