6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide

C23H25N5O4 — CID 136850258

About 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide

6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 136850258) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
• PubChem CID: 136850258
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1
• InChI: InChI=1S/C23H25N5O4/c1-31-21-8-7-17(15-24-21)22(30)26-19(16-5-3-2-4-6-16)13-18-14-20(29)27-23(25-18)28-9-11-32-12-10-28/h2-8,14-15,19H,9-13H2,1H3,(H,26,30)(H,25,27,29)/t19-/m1/s1
• InChIKey: SIGWQMXDOVRKOJ-LJQANCHMSA-N
• XLogP: 1.72
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide?

The IUPAC name of 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide (CID 136850258) is 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1.

What is the InChIKey of 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide?

The InChIKey is SIGWQMXDOVRKOJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-21-8-7-17(15-24-21)22(30)26-19(16-5-3-2-4-6-16)13-18-14-20(29)27-23(25-18)28-9-11-32-12-10-28/h2-8,14-15,19H,9-13H2,1H3,(H,26,30)(H,25,27,29)/t19-/m1/s1.

What are the key properties of 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide?

6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 136850258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).