1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C56H59Cl2N9O9 — CID 159648538

About 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 159648538) has the molecular formula C56H59Cl2N9O9 and a molecular weight of 1073.05 g/mol. Its IUPAC name is 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

• Compound Name: 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
• PubChem CID: 159648538
• Molecular Formula: C56H59Cl2N9O9
• Molecular Weight: 1073.05 g/mol
• Exact Mass: 1071.38
• IUPAC Name: 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
• SMILES: CC(C)N1CN(C(c2cccc(Cl)c2)c2cccc(Cl)c2)n2ccc(=O)c(O)c2C1=O.CC(C)N1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O.CC(C)NC(=O)c1c(OCc2ccccc2)c(=O)ccn1N
• InChI: InChI=1S/C23H21Cl2N3O3.C17H19N3O3.C16H19N3O3/c1-14(2)26-13-28(27-10-9-19(29)22(30)21(27)23(26)31)20(15-5-3-7-17(24)11-15)16-6-4-8-18(25)12-16;1-12(2)19-11-18-20-9-8-14(21)16(15(20)17(19)22)23-10-13-6-4-3-5-7-13;1-11(2)18-16(21)14-15(13(20)8-9-19(14)17)22-10-12-6-4-3-5-7-12/h3-12,14,20,30H,13H2,1-2H3;3-9,12,18H,10-11H2,1-2H3;3-9,11H,10,17H2,1-2H3,(H,18,21)
• InChIKey: MRGOPNUYVXVTPB-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 215.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.05
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The IUPAC name of 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 159648538) is 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

What is the SMILES notation for 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The canonical SMILES for 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(C)N1CN(C(c2cccc(Cl)c2)c2cccc(Cl)c2)n2ccc(=O)c(O)c2C1=O.CC(C)N1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O.CC(C)NC(=O)c1c(OCc2ccccc2)c(=O)ccn1N.

What is the InChIKey of 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The InChIKey is MRGOPNUYVXVTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3.C17H19N3O3.C16H19N3O3/c1-14(2)26-13-28(27-10-9-19(29)22(30)21(27)23(26)31)20(15-5-3-7-17(24)11-15)16-6-4-8-18(25)12-16;1-12(2)19-11-18-20-9-8-14(21)16(15(20)17(19)22)23-10-13-6-4-3-5-7-13;1-11(2)18-16(21)14-15(13(20)8-9-19(14)17)22-10-12-6-4-3-5-7-12/h3-12,14,20,30H,13H2,1-2H3;3-9,12,18H,10-11H2,1-2H3;3-9,11H,10,17H2,1-2H3,(H,18,21).

What are the key properties of 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 1073.05 g/mol, XLogP of 7.48, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide;1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 159648538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).