methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

C16H16N4O3S — CID 4646649

IUPACmethyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2C1c1ccncc1
InChIInChI=1S/C16H16N4O3S/c1-7-9(16(22)23-2)10(8-3-5-19-6-4-8)11-12(17)13(14(18)21)24-15(11)20-7/h3-6,10,20H,17H2,1-2H3,(H2,18,21)
InChIKeyGMWGPIDNVDOAOL-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.83
Rot. Bonds3

About methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (PubChem CID 4646649) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
PubChem CID4646649
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Namemethyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2C1c1ccncc1
InChIInChI=1S/C16H16N4O3S/c1-7-9(16(22)23-2)10(8-3-5-19-6-4-8)11-12(17)13(14(18)21)24-15(11)20-7/h3-6,10,20H,17H2,1-2H3,(H2,18,21)
InChIKeyGMWGPIDNVDOAOL-UHFFFAOYSA-N
XLogP1.83
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (CID 4646649) is methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2C1c1ccncc1.
What is the InChIKey of methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is GMWGPIDNVDOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-7-9(16(22)23-2)10(8-3-5-19-6-4-8)11-12(17)13(14(18)21)24-15(11)20-7/h3-6,10,20H,17H2,1-2H3,(H2,18,21).
What are the key properties of methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-carbamoyl-6-methyl-4-pyridin-4-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 4646649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).