6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

C22H28F4N4O3 — CID 71093579

IUPAC6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C22H28F4N4O3/c1-3-20(4-2,19(32)30-12-22(25,26)13-30)28-17(31)15-7-8-16(29-10-21(23,24)11-29)18(27-15)33-9-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,28,31)
InChIKeyUZHGOWURUWWMQW-UHFFFAOYSA-N
MW472.48 g/mol
LogP3.09
Rot. Bonds9

About 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 71093579) has the molecular formula C22H28F4N4O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
PubChem CID71093579
Molecular FormulaC22H28F4N4O3
Molecular Weight472.48 g/mol
Exact Mass472.21
IUPAC Name6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C22H28F4N4O3/c1-3-20(4-2,19(32)30-12-22(25,26)13-30)28-17(31)15-7-8-16(29-10-21(23,24)11-29)18(27-15)33-9-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,28,31)
InChIKeyUZHGOWURUWWMQW-UHFFFAOYSA-N
XLogP3.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (CID 71093579) is 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is UZHGOWURUWWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4N4O3/c1-3-20(4-2,19(32)30-12-22(25,26)13-30)28-17(31)15-7-8-16(29-10-21(23,24)11-29)18(27-15)33-9-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,28,31).
What are the key properties of 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[3-(3,3-difluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71093579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).