2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide

C18H21BrFN3O2 — CID 86862309

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C18H21BrFN3O2/c1-12(8-10-23(2)3)22-17(24)14-5-4-9-21-18(14)25-16-7-6-13(20)11-15(16)19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24)
InChIKeyUSDGINFNBCCFFQ-UHFFFAOYSA-N
MW410.29 g/mol
LogP3.85
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide

2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide (PubChem CID 86862309) has the molecular formula C18H21BrFN3O2 and a molecular weight of 410.29 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
PubChem CID86862309
Molecular FormulaC18H21BrFN3O2
Molecular Weight410.29 g/mol
Exact Mass409.08
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C18H21BrFN3O2/c1-12(8-10-23(2)3)22-17(24)14-5-4-9-21-18(14)25-16-7-6-13(20)11-15(16)19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24)
InChIKeyUSDGINFNBCCFFQ-UHFFFAOYSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47047756
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55791334
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55789308
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide (CID 86862309) is 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide is CC(CCN(C)C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is USDGINFNBCCFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3O2/c1-12(8-10-23(2)3)22-17(24)14-5-4-9-21-18(14)25-16-7-6-13(20)11-15(16)19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide?
2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 410.29 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 86862309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).