N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide

C23H27N9O2 — CID 155435180

About N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide

N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide (PubChem CID 155435180) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
• PubChem CID: 155435180
• Molecular Formula: C23H27N9O2
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.23
• IUPAC Name: N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
• SMILES: CNC(=O)C1CN(c2ccc(N3CCN(c4cccc(-c5nncn5C(C)C)n4)C3=O)cn2)C1
• InChI: InChI=1S/C23H27N9O2/c1-15(2)32-14-26-28-21(32)18-5-4-6-20(27-18)31-10-9-30(23(31)34)17-7-8-19(25-11-17)29-12-16(13-29)22(33)24-3/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,33)
• InChIKey: XJENLASQBMUZMW-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 112.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide?

The IUPAC name of N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide (CID 155435180) is N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide.

What is the SMILES notation for N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide?

The canonical SMILES for N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide is CNC(=O)C1CN(c2ccc(N3CCN(c4cccc(-c5nncn5C(C)C)n4)C3=O)cn2)C1.

What is the InChIKey of N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide?

The InChIKey is XJENLASQBMUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2/c1-15(2)32-14-26-28-21(32)18-5-4-6-20(27-18)31-10-9-30(23(31)34)17-7-8-19(25-11-17)29-12-16(13-29)22(33)24-3/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,33).

What are the key properties of N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide?

N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide is sourced from PubChem (CID 155435180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).