N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide

C19H24F2N6O3 — CID 144993227

IUPACN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide
SMILESCC(=O)c1cn(CC(F)CCn2ccc(NC(=O)CN3CCC(F)C3)cc2=O)nn1
InChIInChI=1S/C19H24F2N6O3/c1-13(28)17-11-27(24-23-17)10-15(21)3-6-26-7-4-16(8-19(26)30)22-18(29)12-25-5-2-14(20)9-25/h4,7-8,11,14-15H,2-3,5-6,9-10,12H2,1H3,(H,22,29)
InChIKeyCAMJXSLVXLUVGD-UHFFFAOYSA-N
MW422.44 g/mol
LogP1.05
Rot. Bonds9

About N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide

N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide (PubChem CID 144993227) has the molecular formula C19H24F2N6O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide
PubChem CID144993227
Molecular FormulaC19H24F2N6O3
Molecular Weight422.44 g/mol
Exact Mass422.19
IUPAC NameN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide
SMILESCC(=O)c1cn(CC(F)CCn2ccc(NC(=O)CN3CCC(F)C3)cc2=O)nn1
InChIInChI=1S/C19H24F2N6O3/c1-13(28)17-11-27(24-23-17)10-15(21)3-6-26-7-4-16(8-19(26)30)22-18(29)12-25-5-2-14(20)9-25/h4,7-8,11,14-15H,2-3,5-6,9-10,12H2,1H3,(H,22,29)
InChIKeyCAMJXSLVXLUVGD-UHFFFAOYSA-N
XLogP1.05
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide (CID 144993227) is N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide is CC(=O)c1cn(CC(F)CCn2ccc(NC(=O)CN3CCC(F)C3)cc2=O)nn1.
What is the InChIKey of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide?
The InChIKey is CAMJXSLVXLUVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O3/c1-13(28)17-11-27(24-23-17)10-15(21)3-6-26-7-4-16(8-19(26)30)22-18(29)12-25-5-2-14(20)9-25/h4,7-8,11,14-15H,2-3,5-6,9-10,12H2,1H3,(H,22,29).
What are the key properties of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide?
N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide has a molecular weight of 422.44 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide is sourced from PubChem (CID 144993227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).