6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

C22H33FN4O4 — CID 118418720

IUPAC6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF
InChIInChI=1S/C22H33FN4O4/c1-4-22(5-2,21(29)24-11-10-23)26-19(28)17-8-9-18(27-12-16(13-27)30-3)20(25-17)31-14-15-6-7-15/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyQCYAIEMNEMCNGN-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.08
Rot. Bonds12

About 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 118418720) has the molecular formula C22H33FN4O4 and a molecular weight of 436.53 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
PubChem CID118418720
Molecular FormulaC22H33FN4O4
Molecular Weight436.53 g/mol
Exact Mass436.25
IUPAC Name6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF
InChIInChI=1S/C22H33FN4O4/c1-4-22(5-2,21(29)24-11-10-23)26-19(28)17-8-9-18(27-12-16(13-27)30-3)20(25-17)31-14-15-6-7-15/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyQCYAIEMNEMCNGN-UHFFFAOYSA-N
XLogP2.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (CID 118418720) is 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is QCYAIEMNEMCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O4/c1-4-22(5-2,21(29)24-11-10-23)26-19(28)17-8-9-18(27-12-16(13-27)30-3)20(25-17)31-14-15-6-7-15/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 2.08, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118418720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).