3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide

C23H33N5O2 — CID 146402383

About 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide

3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 146402383) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide
• PubChem CID: 146402383
• Molecular Formula: C23H33N5O2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.26
• IUPAC Name: 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide
• SMILES: Cc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2C2CC2)cnn1C
• InChI: InChI=1S/C23H33N5O2/c1-15-18(11-25-28(15)5)19-12-27(4)13-20(19)26-22(29)23(2,3)14-30-21-17(16-8-9-16)7-6-10-24-21/h6-7,10-11,16,19-20H,8-9,12-14H2,1-5H3,(H,26,29)/t19-,20+/m0/s1
• InChIKey: HZAXBOZZKOQECK-VQTJNVASSA-N
• XLogP: 2.62
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide?

The IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 146402383) is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide?

The canonical SMILES for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide is Cc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2C2CC2)cnn1C.

What is the InChIKey of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide?

The InChIKey is HZAXBOZZKOQECK-VQTJNVASSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-15-18(11-25-28(15)5)19-12-27(4)13-20(19)26-22(29)23(2,3)14-30-21-17(16-8-9-16)7-6-10-24-21/h6-7,10-11,16,19-20H,8-9,12-14H2,1-5H3,(H,26,29)/t19-,20+/m0/s1.

What are the key properties of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide?

3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 411.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).