2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide

C12H13N3OS — CID 114769321

IUPAC2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCc2cccs2)c1
InChIInChI=1S/C12H13N3OS/c1-8-5-9(12(13)14)6-11(15-8)16-7-10-3-2-4-17-10/h2-6H,7H2,1H3,(H3,13,14)
InChIKeyVUONRAYIPMWLDQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide

2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide (PubChem CID 114769321) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
PubChem CID114769321
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCc2cccs2)c1
InChIInChI=1S/C12H13N3OS/c1-8-5-9(12(13)14)6-11(15-8)16-7-10-3-2-4-17-10/h2-6H,7H2,1H3,(H3,13,14)
InChIKeyVUONRAYIPMWLDQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908
2-[2-(dimethylamino)-2-methylpropoxy]-6-methylpyridine-4-carboximidamide
CID 114769367
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide (CID 114769321) is 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OCc2cccs2)c1.
What is the InChIKey of 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The InChIKey is VUONRAYIPMWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-5-9(12(13)14)6-11(15-8)16-7-10-3-2-4-17-10/h2-6H,7H2,1H3,(H3,13,14).
What are the key properties of 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide has a molecular weight of 247.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 114769321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).