methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate

C19H17N3O3S — CID 113035267

IUPACmethyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)nc1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)21-13-8-9-17(20-12-13)22-18(23)11-14-5-4-10-26-14/h2-10,12,21H,11H2,1H3,(H,20,22,23)
InChIKeySEYZFOHFUUTBCV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.85
Rot. Bonds6

About methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate

methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate (PubChem CID 113035267) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
PubChem CID113035267
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)nc1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)21-13-8-9-17(20-12-13)22-18(23)11-14-5-4-10-26-14/h2-10,12,21H,11H2,1H3,(H,20,22,23)
InChIKeySEYZFOHFUUTBCV-UHFFFAOYSA-N
XLogP3.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113034634
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113035749
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate (CID 113035267) is methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)nc1.
What is the InChIKey of methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate?
The InChIKey is SEYZFOHFUUTBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)21-13-8-9-17(20-12-13)22-18(23)11-14-5-4-10-26-14/h2-10,12,21H,11H2,1H3,(H,20,22,23).
What are the key properties of methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate?
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate has a molecular weight of 367.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).