2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile

C19H20N6S — CID 56876176

About 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56876176) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
• PubChem CID: 56876176
• Molecular Formula: C19H20N6S
• Molecular Weight: 364.48 g/mol
• Exact Mass: 364.15
• IUPAC Name: 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
• SMILES: C=CCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cn1
• InChI: InChI=1S/C19H20N6S/c1-4-5-25-11-14(9-22-25)15-7-17(23-19(21)16(15)8-20)18-6-13(12-26-18)10-24(2)3/h4,6-7,9,11-12H,1,5,10H2,2-3H3,(H2,21,23)
• InChIKey: XDSIWZVLHMYQOS-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 83.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.48
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?

The IUPAC name of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56876176) is 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile is C=CCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cn1.

What is the InChIKey of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?

The InChIKey is XDSIWZVLHMYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-4-5-25-11-14(9-22-25)15-7-17(23-19(21)16(15)8-20)18-6-13(12-26-18)10-24(2)3/h4,6-7,9,11-12H,1,5,10H2,2-3H3,(H2,21,23).

What are the key properties of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?

2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 364.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56876176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).