N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide

C15H18N4OS — CID 76916212

IUPACN'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H18N4OS/c1-9-3-4-12(14(16)18-20)15(17-9)19-7-5-13-11(10(19)2)6-8-21-13/h3-4,6,8,10,20H,5,7H2,1-2H3,(H2,16,18)
InChIKeyVDIWNGCARBGAQO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.67
Rot. Bonds2

About N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide (PubChem CID 76916212) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide
PubChem CID76916212
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H18N4OS/c1-9-3-4-12(14(16)18-20)15(17-9)19-7-5-13-11(10(19)2)6-8-21-13/h3-4,6,8,10,20H,5,7H2,1-2H3,(H2,16,18)
InChIKeyVDIWNGCARBGAQO-UHFFFAOYSA-N
XLogP2.67
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide (CID 76916212) is N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(N2CCc3sccc3C2C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide?
The InChIKey is VDIWNGCARBGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-3-4-12(14(16)18-20)15(17-9)19-7-5-13-11(10(19)2)6-8-21-13/h3-4,6,8,10,20H,5,7H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide has a molecular weight of 302.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 76916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).