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

C14H18N4S — CID 79476522

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C(C)Cc2cccs2)c1
InChIInChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)13-9-11(14(15)16)5-6-17-13/h3-7,9-10H,8H2,1-2H3,(H3,15,16)
InChIKeyHHLUXUJHNTVWJG-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.49
Rot. Bonds5

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

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide (PubChem CID 79476522) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
PubChem CID79476522
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C(C)Cc2cccs2)c1
InChIInChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)13-9-11(14(15)16)5-6-17-13/h3-7,9-10H,8H2,1-2H3,(H3,15,16)
InChIKeyHHLUXUJHNTVWJG-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

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547721
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide (CID 79476522) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)C(C)Cc2cccs2)c1.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide?
The InChIKey is HHLUXUJHNTVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10(8-12-4-3-7-19-12)18(2)13-9-11(14(15)16)5-6-17-13/h3-7,9-10H,8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-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 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 79476522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).