2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide

C22H19N7O3S — CID 71159727

IUPAC2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
SMILESNc1c(-c2ccoc2)cc(-c2cccs2)nc1OC(C(=O)NC1=NNNN1)c1ccccc1
InChIInChI=1S/C22H19N7O3S/c23-18-15(14-8-9-31-12-14)11-16(17-7-4-10-33-17)24-21(18)32-19(13-5-2-1-3-6-13)20(30)25-22-26-28-29-27-22/h1-12,19,28-29H,23H2,(H2,25,26,27,30)
InChIKeyWTPNBVAJBMPOQS-UHFFFAOYSA-N
MW461.51 g/mol
LogP2.77
Rot. Bonds6

About 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide

2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide (PubChem CID 71159727) has the molecular formula C22H19N7O3S and a molecular weight of 461.51 g/mol. Its IUPAC name is 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
PubChem CID71159727
Molecular FormulaC22H19N7O3S
Molecular Weight461.51 g/mol
Exact Mass461.13
IUPAC Name2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
SMILESNc1c(-c2ccoc2)cc(-c2cccs2)nc1OC(C(=O)NC1=NNNN1)c1ccccc1
InChIInChI=1S/C22H19N7O3S/c23-18-15(14-8-9-31-12-14)11-16(17-7-4-10-33-17)24-21(18)32-19(13-5-2-1-3-6-13)20(30)25-22-26-28-29-27-22/h1-12,19,28-29H,23H2,(H2,25,26,27,30)
InChIKeyWTPNBVAJBMPOQS-UHFFFAOYSA-N
XLogP2.77
TPSA138.83 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide (CID 71159727) is 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide is Nc1c(-c2ccoc2)cc(-c2cccs2)nc1OC(C(=O)NC1=NNNN1)c1ccccc1.
What is the InChIKey of 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide?
The InChIKey is WTPNBVAJBMPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3S/c23-18-15(14-8-9-31-12-14)11-16(17-7-4-10-33-17)24-21(18)32-19(13-5-2-1-3-6-13)20(30)25-22-26-28-29-27-22/h1-12,19,28-29H,23H2,(H2,25,26,27,30).
What are the key properties of 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide?
2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide has a molecular weight of 461.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 71159727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).