4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide

C17H15N5O4S — CID 175883463

IUPAC4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide
SMILESCOc1nc(-c2ccccc2)cc(N=[N+]=[N-])c1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H15N5O4S/c1-26-17-15(16(23)19-12-7-8-27(24,25)10-12)14(21-22-18)9-13(20-17)11-5-3-2-4-6-11/h2-9,12H,10H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyWXNAMSVQTPPLMY-GFCCVEGCSA-N
MW385.41 g/mol
LogP2.74
Rot. Bonds5

About 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide

4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide (PubChem CID 175883463) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide
PubChem CID175883463
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide
SMILESCOc1nc(-c2ccccc2)cc(N=[N+]=[N-])c1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H15N5O4S/c1-26-17-15(16(23)19-12-7-8-27(24,25)10-12)14(21-22-18)9-13(20-17)11-5-3-2-4-6-11/h2-9,12H,10H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyWXNAMSVQTPPLMY-GFCCVEGCSA-N
XLogP2.74
TPSA134.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide?
The IUPAC name of 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide (CID 175883463) is 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide is COc1nc(-c2ccccc2)cc(N=[N+]=[N-])c1C(=O)N[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide?
The InChIKey is WXNAMSVQTPPLMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-26-17-15(16(23)19-12-7-8-27(24,25)10-12)14(21-22-18)9-13(20-17)11-5-3-2-4-6-11/h2-9,12H,10H2,1H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide?
4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 175883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).