2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

C15H19F2N3O3 — CID 130365414

IUPAC2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C15H19F2N3O3/c1-8(2)20-6-9(3)11(7-20)19-14(21)10-4-12-13(5-18-10)23-15(16,17)22-12/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21)
InChIKeyVXEBYADHLWVXAY-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.86
Rot. Bonds3

About 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (PubChem CID 130365414) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
PubChem CID130365414
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C15H19F2N3O3/c1-8(2)20-6-9(3)11(7-20)19-14(21)10-4-12-13(5-18-10)23-15(16,17)22-12/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21)
InChIKeyVXEBYADHLWVXAY-UHFFFAOYSA-N
XLogP1.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386740
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
CID 130375933
5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395401
6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365347
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
2-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 130375891
5-cyclobutyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365382
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen
CID 145040166
1-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)triazole-4-carboxamide
CID 130365391
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
CID 146364145
N-[(3S,4S)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 153449121
5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 159011022

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (CID 130365414) is 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is CC1CN(C(C)C)CC1NC(=O)c1cc2c(cn1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The InChIKey is VXEBYADHLWVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c1-8(2)20-6-9(3)11(7-20)19-14(21)10-4-12-13(5-18-10)23-15(16,17)22-12/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21).
What are the key properties of 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 130365414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).