(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

C20H29N5O2 — CID 98727349

About (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 98727349) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

• Compound Name: (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
• PubChem CID: 98727349
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
• SMILES: CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1
• InChI: InChI=1S/C20H29N5O2/c1-14(2)19(24-12-15(3)27-16(4)13-24)20(26)22-11-17-6-7-18(21-10-17)25-9-5-8-23-25/h5-10,14-16,19H,11-13H2,1-4H3,(H,22,26)/t15-,16-,19-/m1/s1
• InChIKey: ZBTVJBVJVKUMMH-GPMSIDNRSA-N
• XLogP: 2.02
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?

The IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (CID 98727349) is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.

What is the SMILES notation for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?

The canonical SMILES for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1.

What is the InChIKey of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?

The InChIKey is ZBTVJBVJVKUMMH-GPMSIDNRSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(2)19(24-12-15(3)27-16(4)13-24)20(26)22-11-17-6-7-18(21-10-17)25-9-5-8-23-25/h5-10,14-16,19H,11-13H2,1-4H3,(H,22,26)/t15-,16-,19-/m1/s1.

What are the key properties of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 371.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 98727349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).