1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

C19H27N3O3 — CID 97225250

About 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (PubChem CID 97225250) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• PubChem CID: 97225250
• Molecular Formula: C19H27N3O3
• Molecular Weight: 345.44 g/mol
• Exact Mass: 345.21
• IUPAC Name: 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• SMILES: Cc1cccnc1[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)C(C)C
• InChI: InChI=1S/C19H27N3O3/c1-12(2)17(18-13(3)7-5-9-20-18)22-19(24)21-14(4)11-15(23)16-8-6-10-25-16/h5-10,12,14-15,17,23H,11H2,1-4H3,(H2,21,22,24)/t14-,15+,17-/m1/s1
• InChIKey: VPNICESUEOKVEQ-HLLBOEOZSA-N
• XLogP: 3.49
• TPSA: 87.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.44
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The IUPAC name of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (CID 97225250) is 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

What is the SMILES notation for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The canonical SMILES for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is Cc1cccnc1[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)C(C)C.

What is the InChIKey of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The InChIKey is VPNICESUEOKVEQ-HLLBOEOZSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)17(18-13(3)7-5-9-20-18)22-19(24)21-14(4)11-15(23)16-8-6-10-25-16/h5-10,12,14-15,17,23H,11H2,1-4H3,(H2,21,22,24)/t14-,15+,17-/m1/s1.

What are the key properties of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 97225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).