N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

C20H21N3O2S — CID 87208707

IUPACN-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(Cc2ccc3ccccc3n2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C20H21N3O2S/c1-20(2)12-23(10-14-9-17(19(24)22-25)26-18(14)20)11-15-8-7-13-5-3-4-6-16(13)21-15/h3-9,25H,10-12H2,1-2H3,(H,22,24)
InChIKeyRUURDMHOXRBFLO-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.71
Rot. Bonds3

About N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 87208707) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID87208707
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(Cc2ccc3ccccc3n2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C20H21N3O2S/c1-20(2)12-23(10-14-9-17(19(24)22-25)26-18(14)20)11-15-8-7-13-5-3-4-6-16(13)21-15/h3-9,25H,10-12H2,1-2H3,(H,22,24)
InChIKeyRUURDMHOXRBFLO-UHFFFAOYSA-N
XLogP3.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (CID 87208707) is N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is CC1(C)CN(Cc2ccc3ccccc3n2)Cc2cc(C(=O)NO)sc21.
What is the InChIKey of N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is RUURDMHOXRBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-20(2)12-23(10-14-9-17(19(24)22-25)26-18(14)20)11-15-8-7-13-5-3-4-6-16(13)21-15/h3-9,25H,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 87208707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).