methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate

C17H13N3O3S — CID 58657330

IUPACmethyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccncc3)cn2)s1
InChIInChI=1S/C17H13N3O3S/c1-23-17(22)15-5-4-14(24-15)13-3-2-12(10-19-13)20-16(21)11-6-8-18-9-7-11/h2-10H,1H3,(H,20,21)
InChIKeyAPFQJJDHDPSGMD-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.24
Rot. Bonds4

About methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 58657330) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID58657330
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Namemethyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccncc3)cn2)s1
InChIInChI=1S/C17H13N3O3S/c1-23-17(22)15-5-4-14(24-15)13-3-2-12(10-19-13)20-16(21)11-6-8-18-9-7-11/h2-10H,1H3,(H,20,21)
InChIKeyAPFQJJDHDPSGMD-UHFFFAOYSA-N
XLogP3.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate (CID 58657330) is methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NC(=O)c3ccncc3)cn2)s1.
What is the InChIKey of methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is APFQJJDHDPSGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-23-17(22)15-5-4-14(24-15)13-3-2-12(10-19-13)20-16(21)11-6-8-18-9-7-11/h2-10H,1H3,(H,20,21).
What are the key properties of methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 339.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 58657330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).