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

C56H54N18O6 — CID 165007297

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

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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 165007297) has the molecular formula C56H54N18O6 and a molecular weight of 1075.17 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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide.

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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
• PubChem CID: 165007297
• Molecular Formula: C56H54N18O6
• Molecular Weight: 1075.17 g/mol
• Exact Mass: 1074.45
• 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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
• SMILES: CCOC(=O)c1cc(-c2cccnc2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-c1cccnc1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cccnc1
• InChI: InChI=1S/2C21H20N8O2.C14H14N2O2/c2*1-13-10-23-18(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/h2*3-11,14,30H,12H2,1-2H3,(H,24,25,31);4-9H,3H2,1-2H3/t14-;;/m1../s1
• InChIKey: JDPJBVZKKNRVBC-FMOMHUKBSA-N
• XLogP: 7.24
• TPSA: 315.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.17
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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

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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide (CID 165007297) 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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide.

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

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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide is CCOC(=O)c1cc(-c2cccnc2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-c1cccnc1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide?

The InChIKey is JDPJBVZKKNRVBC-FMOMHUKBSA-N. The full InChI is InChI=1S/2C21H20N8O2.C14H14N2O2/c2*1-13-10-23-18(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/h2*3-11,14,30H,12H2,1-2H3,(H,24,25,31);4-9H,3H2,1-2H3/t14-;;/m1../s1.

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

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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 1075.17 g/mol, XLogP of 7.24, 15 rotatable bonds, 4 hydrogen bond donors, and 22 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;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 165007297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).