N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C20H18N4O3S — CID 58157601

IUPACN-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C20H18N4O3S/c1-12-15(10-21-18(22-12)13-5-3-2-4-6-13)20(26)24-8-7-14-9-16(19(25)23-27)28-17(14)11-24/h2-6,9-10,27H,7-8,11H2,1H3,(H,23,25)
InChIKeyFQERNZHBGBICCD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.83
Rot. Bonds3

About N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157601) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157601
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C20H18N4O3S/c1-12-15(10-21-18(22-12)13-5-3-2-4-6-13)20(26)24-8-7-14-9-16(19(25)23-27)28-17(14)11-24/h2-6,9-10,27H,7-8,11H2,1H3,(H,23,25)
InChIKeyFQERNZHBGBICCD-UHFFFAOYSA-N
XLogP2.83
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157601) is N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCc2cc(C(=O)NO)sc2C1.
What is the InChIKey of N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FQERNZHBGBICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-15(10-21-18(22-12)13-5-3-2-4-6-13)20(26)24-8-7-14-9-16(19(25)23-27)28-17(14)11-24/h2-6,9-10,27H,7-8,11H2,1H3,(H,23,25).
What are the key properties of N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).