N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide

C24H25N5O3 — CID 129282474

About N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide

N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide (PubChem CID 129282474) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
• PubChem CID: 129282474
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
• SMILES: Cc1ccnc(-c2cnc(N3CC4(COC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
• InChI: InChI=1S/C24H25N5O3/c1-16-5-6-25-20(9-16)18-11-26-23(27-12-18)29-13-24(14-32-15-24)19-4-3-17(10-21(19)29)22(31)28(2)7-8-30/h3-6,9-12,30H,7-8,13-15H2,1-2H3
• InChIKey: SDGBXASXUSAYMA-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide (CID 129282474) is N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide is Cc1ccnc(-c2cnc(N3CC4(COC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.

What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide?

The InChIKey is SDGBXASXUSAYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-5-6-25-20(9-16)18-11-26-23(27-12-18)29-13-24(14-32-15-24)19-4-3-17(10-21(19)29)22(31)28(2)7-8-30/h3-6,9-12,30H,7-8,13-15H2,1-2H3.

What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide?

N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide is sourced from PubChem (CID 129282474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).