(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C18H17N3O3S — CID 55640832

IUPAC(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OCc3cccc(C(N)=O)c3)sc2n1
InChIInChI=1S/C18H17N3O3S/c1-9-6-10(2)21-17-13(9)14(19)15(25-17)18(23)24-8-11-4-3-5-12(7-11)16(20)22/h3-7H,8,19H2,1-2H3,(H2,20,22)
InChIKeyNFULKQUYSATZAZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.95
Rot. Bonds4

About (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 55640832) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID55640832
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OCc3cccc(C(N)=O)c3)sc2n1
InChIInChI=1S/C18H17N3O3S/c1-9-6-10(2)21-17-13(9)14(19)15(25-17)18(23)24-8-11-4-3-5-12(7-11)16(20)22/h3-7H,8,19H2,1-2H3,(H2,20,22)
InChIKeyNFULKQUYSATZAZ-UHFFFAOYSA-N
XLogP2.95
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 55640832) is (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C)c2c(N)c(C(=O)OCc3cccc(C(N)=O)c3)sc2n1.
What is the InChIKey of (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is NFULKQUYSATZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-9-6-10(2)21-17-13(9)14(19)15(25-17)18(23)24-8-11-4-3-5-12(7-11)16(20)22/h3-7H,8,19H2,1-2H3,(H2,20,22).
What are the key properties of (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 55640832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).