4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide

C14H18N4S — CID 79476306

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C(C)Cc2cccs2)ccn1
InChIInChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)11-5-6-17-13(9-11)14(15)16/h3-7,9-10H,8H2,1-2H3,(H3,15,16)
InChIKeyYZYPPPOYWMKSGS-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.49
Rot. Bonds5

About 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide (PubChem CID 79476306) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
PubChem CID79476306
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C(C)Cc2cccs2)ccn1
InChIInChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)11-5-6-17-13(9-11)14(15)16/h3-7,9-10H,8H2,1-2H3,(H3,15,16)
InChIKeyYZYPPPOYWMKSGS-UHFFFAOYSA-N
XLogP2.49
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.49
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(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547721
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide (CID 79476306) is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N(C)C(C)Cc2cccs2)ccn1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide?
The InChIKey is YZYPPPOYWMKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)11-5-6-17-13(9-11)14(15)16/h3-7,9-10H,8H2,1-2H3,(H3,15,16).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide?
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide has a molecular weight of 274.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 79476306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).