(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide

C19H23N3O2 — CID 42538916

About (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide

(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide (PubChem CID 42538916) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide.

Molecular Properties

• Compound Name: (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
• PubChem CID: 42538916
• Molecular Formula: C19H23N3O2
• Molecular Weight: 325.41 g/mol
• Exact Mass: 325.18
• IUPAC Name: (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
• SMILES: CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1
• InChI: InChI=1S/C19H23N3O2/c1-3-13(2)10-17(23)22-12-15-11-14-6-4-7-16(18(14)24-15)19-20-8-5-9-21-19/h4-9,13,15H,3,10-12H2,1-2H3,(H,22,23)/t13-,15-/m1/s1
• InChIKey: UIYFXMALLAFIIV-UKRRQHHQSA-N
• XLogP: 3.00
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.41
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide?

The IUPAC name of (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide (CID 42538916) is (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide.

What is the SMILES notation for (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide?

The canonical SMILES for (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide is CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1.

What is the InChIKey of (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide?

The InChIKey is UIYFXMALLAFIIV-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-13(2)10-17(23)22-12-15-11-14-6-4-7-16(18(14)24-15)19-20-8-5-9-21-19/h4-9,13,15H,3,10-12H2,1-2H3,(H,22,23)/t13-,15-/m1/s1.

What are the key properties of (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide?

(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide is sourced from PubChem (CID 42538916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).