methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate

C22H22N4O4 — CID 134152556

IUPACmethyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(N)c(C(N)=O)c(-c2ccc(N(C)C)cc2)cc1=O
InChIInChI=1S/C22H22N4O4/c1-25(2)14-10-8-13(9-11-14)16-12-18(27)26(20(23)19(16)21(24)28)17-7-5-4-6-15(17)22(29)30-3/h4-12H,23H2,1-3H3,(H2,24,28)
InChIKeyOGORRLGNQSOURY-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate

methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate (PubChem CID 134152556) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate
PubChem CID134152556
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Namemethyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(N)c(C(N)=O)c(-c2ccc(N(C)C)cc2)cc1=O
InChIInChI=1S/C22H22N4O4/c1-25(2)14-10-8-13(9-11-14)16-12-18(27)26(20(23)19(16)21(24)28)17-7-5-4-6-15(17)22(29)30-3/h4-12H,23H2,1-3H3,(H2,24,28)
InChIKeyOGORRLGNQSOURY-UHFFFAOYSA-N
XLogP2.04
TPSA120.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate?
The IUPAC name of methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate (CID 134152556) is methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate.
What is the SMILES notation for methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate?
The canonical SMILES for methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate is COC(=O)c1ccccc1-n1c(N)c(C(N)=O)c(-c2ccc(N(C)C)cc2)cc1=O.
What is the InChIKey of methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate?
The InChIKey is OGORRLGNQSOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-25(2)14-10-8-13(9-11-14)16-12-18(27)26(20(23)19(16)21(24)28)17-7-5-4-6-15(17)22(29)30-3/h4-12H,23H2,1-3H3,(H2,24,28).
What are the key properties of methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate?
methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate has a molecular weight of 406.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-3-carbamoyl-4-[4-(dimethylamino)phenyl]-6-oxo-1-pyridinyl]benzoate is sourced from PubChem (CID 134152556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).