N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide

C24H28N4O — CID 125159915

About N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide

N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide (PubChem CID 125159915) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
• PubChem CID: 125159915
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
• SMILES: CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2)c1C
• InChI: InChI=1S/C24H28N4O/c1-5-28-17(4)21(16(3)27-28)19-9-6-10-20(14-19)24(29)26-23(18-11-12-18)22-15(2)8-7-13-25-22/h6-10,13-14,18,23H,5,11-12H2,1-4H3,(H,26,29)/t23-/m1/s1
• InChIKey: IUZQRSQUYUUZHK-HSZRJFAPSA-N
• XLogP: 4.77
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?

The IUPAC name of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide (CID 125159915) is N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide.

What is the SMILES notation for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?

The canonical SMILES for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide is CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2)c1C.

What is the InChIKey of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?

The InChIKey is IUZQRSQUYUUZHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-28-17(4)21(16(3)27-28)19-9-6-10-20(14-19)24(29)26-23(18-11-12-18)22-15(2)8-7-13-25-22/h6-10,13-14,18,23H,5,11-12H2,1-4H3,(H,26,29)/t23-/m1/s1.

What are the key properties of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?

N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide has a molecular weight of 388.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 125159915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).