6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate

C38H42Cl2N8O5 — CID 167560274

IUPAC6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
SMILESC.CN1N=C(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H17ClN4O2.C14H12ClNO2.C5H9N3O.CH4/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-13(11-20-16)9-12-3-2-4-14(19)10-12;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(6)7-8;/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,21,25);2-6,8-9H,7H2,1H3;2-3H2,1H3,(H2,6,7);1H4
InChIKeyDOIOJUFLWQMWES-UHFFFAOYSA-N
MW761.71 g/mol
LogP6.13
Rot. Bonds7

About 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate

6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 167560274) has the molecular formula C38H42Cl2N8O5 and a molecular weight of 761.71 g/mol. Its IUPAC name is 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
PubChem CID167560274
Molecular FormulaC38H42Cl2N8O5
Molecular Weight761.71 g/mol
Exact Mass760.27
IUPAC Name6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
SMILESC.CN1N=C(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H17ClN4O2.C14H12ClNO2.C5H9N3O.CH4/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-13(11-20-16)9-12-3-2-4-14(19)10-12;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(6)7-8;/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,21,25);2-6,8-9H,7H2,1H3;2-3H2,1H3,(H2,6,7);1H4
InChIKeyDOIOJUFLWQMWES-UHFFFAOYSA-N
XLogP6.13
TPSA172.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.71
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

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CID 91298209
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CID 156864239
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CID 139512426
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6-Amino-2-methylpyridazin-3-one;6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate (CID 167560274) is 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate is C.CN1N=C(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(Cl)c2)cn1.
What is the InChIKey of 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The InChIKey is DOIOJUFLWQMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2.C14H12ClNO2.C5H9N3O.CH4/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-13(11-20-16)9-12-3-2-4-14(19)10-12;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(6)7-8;/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,21,25);2-6,8-9H,7H2,1H3;2-3H2,1H3,(H2,6,7);1H4.
What are the key properties of 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 761.71 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-4,5-dihydropyridazin-3-one;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 167560274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).