ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane

C36H38N10O4 — CID 162113691

About ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane

ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane (PubChem CID 162113691) has the molecular formula C36H38N10O4 and a molecular weight of 674.77 g/mol. Its IUPAC name is ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane.

Molecular Properties

• Compound Name: ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane
• PubChem CID: 162113691
• Molecular Formula: C36H38N10O4
• Molecular Weight: 674.77 g/mol
• Exact Mass: 674.31
• IUPAC Name: ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane
• SMILES: C.CCOC(=O)c1cc(-c2cccnc2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-c1cccnc1
• InChI: InChI=1S/C21H20N8O2.C14H14N2O2.CH4/c1-13-10-23-18(9-16(13)15-5-4-8-22-11-15)21(31)25-19-7-3-6-17(24-19)20-26-27-28-29(20)14(2)12-30;1-3-18-14(17)13-7-12(10(2)8-16-13)11-5-4-6-15-9-11;/h3-11,14,30H,12H2,1-2H3,(H,24,25,31);4-9H,3H2,1-2H3;1H4
• InChIKey: ZGMGBYBBBRGSBK-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 183.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	674.77
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane?

The IUPAC name of ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane (CID 162113691) is ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane.

What is the SMILES notation for ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane?

The canonical SMILES for ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane is C.CCOC(=O)c1cc(-c2cccnc2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-c1cccnc1.

What is the InChIKey of ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane?

The InChIKey is ZGMGBYBBBRGSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2.C14H14N2O2.CH4/c1-13-10-23-18(9-16(13)15-5-4-8-22-11-15)21(31)25-19-7-3-6-17(24-19)20-26-27-28-29(20)14(2)12-30;1-3-18-14(17)13-7-12(10(2)8-16-13)11-5-4-6-15-9-11;/h3-11,14,30H,12H2,1-2H3,(H,24,25,31);4-9H,3H2,1-2H3;1H4.

What are the key properties of ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane?

ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane has a molecular weight of 674.77 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methyl-4-pyridin-3-ylpyridine-2-carboxylate;N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide;methane is sourced from PubChem (CID 162113691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).