2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide

C22H25F2N3O3 — CID 148558699

IUPAC2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C22H25F2N3O3/c1-12-6-17(10-25-22(12)30-11-20(23)24)14(3)27-21(29)16-7-13(2)26-18(8-16)9-19(28)15-4-5-15/h6-8,10,14-15,20H,4-5,9,11H2,1-3H3,(H,27,29)
InChIKeyMUOLLHWIJNKREV-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.75
Rot. Bonds9

About 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 148558699) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID148558699
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C22H25F2N3O3/c1-12-6-17(10-25-22(12)30-11-20(23)24)14(3)27-21(29)16-7-13(2)26-18(8-16)9-19(28)15-4-5-15/h6-8,10,14-15,20H,4-5,9,11H2,1-3H3,(H,27,29)
InChIKeyMUOLLHWIJNKREV-UHFFFAOYSA-N
XLogP3.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide (CID 148558699) is 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C)c2)cc(CC(=O)C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is MUOLLHWIJNKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-12-6-17(10-25-22(12)30-11-20(23)24)14(3)27-21(29)16-7-13(2)26-18(8-16)9-19(28)15-4-5-15/h6-8,10,14-15,20H,4-5,9,11H2,1-3H3,(H,27,29).
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide?
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 148558699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).