2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide

C13H16N4S — CID 114768881

IUPAC2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C13H16N4S/c1-9-5-11(13(14)15)6-12(16-9)17(2)7-10-3-4-18-8-10/h3-6,8H,7H2,1-2H3,(H3,14,15)
InChIKeyPIORFNKMFKPWDE-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide

2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide (PubChem CID 114768881) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
PubChem CID114768881
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C13H16N4S/c1-9-5-11(13(14)15)6-12(16-9)17(2)7-10-3-4-18-8-10/h3-6,8H,7H2,1-2H3,(H3,14,15)
InChIKeyPIORFNKMFKPWDE-UHFFFAOYSA-N
XLogP2.37
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.37
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-[methyl-[(4-methylphenyl)methyl]amino]pyridine-4-carboximidamide
CID 114768863
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
CID 114769147
2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
CID 114768994
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 113380132
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide (CID 114768881) is 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)Cc2ccsc2)c1.
What is the InChIKey of 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide?
The InChIKey is PIORFNKMFKPWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-5-11(13(14)15)6-12(16-9)17(2)7-10-3-4-18-8-10/h3-6,8H,7H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide?
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide has a molecular weight of 260.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 114768881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).