methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate

C23H19N3O6 — CID 5078985

IUPACmethyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccncc2NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H19N3O6/c1-31-22(29)16-7-3-14(4-8-16)20(27)25-18-11-12-24-13-19(18)26-21(28)15-5-9-17(10-6-15)23(30)32-2/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyPAGULADYQWFLNK-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.16
Rot. Bonds6

About methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate

methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate (PubChem CID 5078985) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate
PubChem CID5078985
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Namemethyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccncc2NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H19N3O6/c1-31-22(29)16-7-3-14(4-8-16)20(27)25-18-11-12-24-13-19(18)26-21(28)15-5-9-17(10-6-15)23(30)32-2/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyPAGULADYQWFLNK-UHFFFAOYSA-N
XLogP3.16
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate (CID 5078985) is methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccncc2NC(=O)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate?
The InChIKey is PAGULADYQWFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c1-31-22(29)16-7-3-14(4-8-16)20(27)25-18-11-12-24-13-19(18)26-21(28)15-5-9-17(10-6-15)23(30)32-2/h3-13H,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate?
methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate has a molecular weight of 433.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]-4-pyridinyl]carbamoyl]benzoate is sourced from PubChem (CID 5078985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).