2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

C16H17N3O3S — CID 90733683

IUPAC2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3cc(C(=O)NO)sc3C2)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-2-4-12(5-3-10)17-16(21)19-7-6-11-8-13(15(20)18-22)23-14(11)9-19/h2-5,8,22H,6-7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyPBDFNFOZJAIKTN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.77
Rot. Bonds2

About 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 90733683) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID90733683
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3cc(C(=O)NO)sc3C2)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-2-4-12(5-3-10)17-16(21)19-7-6-11-8-13(15(20)18-22)23-14(11)9-19/h2-5,8,22H,6-7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyPBDFNFOZJAIKTN-UHFFFAOYSA-N
XLogP2.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
CID 58157604
N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157652
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
1-(4-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)urea
CID 17268199
6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157803
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
5-cyclopentyl-N-(4-methylphenyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171174
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530121
5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72680323
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117

Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (CID 90733683) is 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is Cc1ccc(NC(=O)N2CCc3cc(C(=O)NO)sc3C2)cc1.
What is the InChIKey of 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is PBDFNFOZJAIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-2-4-12(5-3-10)17-16(21)19-7-6-11-8-13(15(20)18-22)23-14(11)9-19/h2-5,8,22H,6-7,9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 90733683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).