3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea

C20H25N3O — CID 119060969

About 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea

3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 119060969) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• PubChem CID: 119060969
• Molecular Formula: C20H25N3O
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.20
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• SMILES: Cc1ccnc(CC(C)N(C)C(=O)NC2Cc3ccccc3C2)c1
• InChI: InChI=1S/C20H25N3O/c1-14-8-9-21-18(10-14)11-15(2)23(3)20(24)22-19-12-16-6-4-5-7-17(16)13-19/h4-10,15,19H,11-13H2,1-3H3,(H,22,24)
• InChIKey: WRLJEZLZJFRZBF-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea (CID 119060969) is 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea is Cc1ccnc(CC(C)N(C)C(=O)NC2Cc3ccccc3C2)c1.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The InChIKey is WRLJEZLZJFRZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-8-9-21-18(10-14)11-15(2)23(3)20(24)22-19-12-16-6-4-5-7-17(16)13-19/h4-10,15,19H,11-13H2,1-3H3,(H,22,24).

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 119060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).