2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide

C23H29N3O — CID 165077295

About 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide

2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide (PubChem CID 165077295) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide
• PubChem CID: 165077295
• Molecular Formula: C23H29N3O
• Molecular Weight: 363.51 g/mol
• Exact Mass: 363.23
• IUPAC Name: 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide
• SMILES: Cc1cncc(N2CC[C@@H](NC(=O)C(C)(C)c3ccc(C4CC4)cc3)C2)c1
• InChI: InChI=1S/C23H29N3O/c1-16-12-21(14-24-13-16)26-11-10-20(15-26)25-22(27)23(2,3)19-8-6-18(7-9-19)17-4-5-17/h6-9,12-14,17,20H,4-5,10-11,15H2,1-3H3,(H,25,27)/t20-/m1/s1
• InChIKey: UNDGYLTXBPLTHP-HXUWFJFHSA-N
• XLogP: 3.94
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide?

The IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide (CID 165077295) is 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide.

What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide?

The canonical SMILES for 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide is Cc1cncc(N2CC[C@@H](NC(=O)C(C)(C)c3ccc(C4CC4)cc3)C2)c1.

What is the InChIKey of 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide?

The InChIKey is UNDGYLTXBPLTHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16-12-21(14-24-13-16)26-11-10-20(15-26)25-22(27)23(2,3)19-8-6-18(7-9-19)17-4-5-17/h6-9,12-14,17,20H,4-5,10-11,15H2,1-3H3,(H,25,27)/t20-/m1/s1.

What are the key properties of 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide?

2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 165077295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).