5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid

C17H11Cl2N3O3 — CID 71283396

IUPAC5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCN(C(=O)c1ncccn1)c1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H11Cl2N3O3/c1-22(16(23)15-20-3-2-4-21-15)13-7-10(17(24)25)5-9-6-11(18)8-12(19)14(9)13/h2-8H,1H3,(H,24,25)
InChIKeyUJTTVCWZOBEGLR-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.91
Rot. Bonds3

About 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid

5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid (PubChem CID 71283396) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid
PubChem CID71283396
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCN(C(=O)c1ncccn1)c1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H11Cl2N3O3/c1-22(16(23)15-20-3-2-4-21-15)13-7-10(17(24)25)5-9-6-11(18)8-12(19)14(9)13/h2-8H,1H3,(H,24,25)
InChIKeyUJTTVCWZOBEGLR-UHFFFAOYSA-N
XLogP3.91
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid (CID 71283396) is 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid is CN(C(=O)c1ncccn1)c1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12.
What is the InChIKey of 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid?
The InChIKey is UJTTVCWZOBEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c1-22(16(23)15-20-3-2-4-21-15)13-7-10(17(24)25)5-9-6-11(18)8-12(19)14(9)13/h2-8H,1H3,(H,24,25).
What are the key properties of 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid?
5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid has a molecular weight of 376.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 71283396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).