N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C19H18N4O3S — CID 58157643

IUPACN-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCc3cc(C(=O)NO)sc3C2)cnn1-c1ccccc1
InChIInChI=1S/C19H18N4O3S/c1-12-15(10-20-23(12)14-5-3-2-4-6-14)19(25)22-8-7-13-9-16(18(24)21-26)27-17(13)11-22/h2-6,9-10,26H,7-8,11H2,1H3,(H,21,24)
InChIKeyXEJZWEWKNANYDC-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.56
Rot. Bonds3

About N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157643) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157643
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCc3cc(C(=O)NO)sc3C2)cnn1-c1ccccc1
InChIInChI=1S/C19H18N4O3S/c1-12-15(10-20-23(12)14-5-3-2-4-6-14)19(25)22-8-7-13-9-16(18(24)21-26)27-17(13)11-22/h2-6,9-10,26H,7-8,11H2,1H3,(H,21,24)
InChIKeyXEJZWEWKNANYDC-UHFFFAOYSA-N
XLogP2.56
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.56
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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Related Compounds

N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465642
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 38446939
6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157545
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332028
N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157748
N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 71788013
2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
CID 90733683
2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
CID 58157604
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157643) is N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1c(C(=O)N2CCc3cc(C(=O)NO)sc3C2)cnn1-c1ccccc1.
What is the InChIKey of N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is XEJZWEWKNANYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-15(10-20-23(12)14-5-3-2-4-6-14)19(25)22-8-7-13-9-16(18(24)21-26)27-17(13)11-22/h2-6,9-10,26H,7-8,11H2,1H3,(H,21,24).
What are the key properties of N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).