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

C19H22N6S — CID 56866964

IUPAC2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)c(C)n1
InChIInChI=1S/C19H22N6S/c1-5-25-10-16(12(2)23-25)14-7-17(22-19(21)15(14)8-20)18-6-13(11-26-18)9-24(3)4/h6-7,10-11H,5,9H2,1-4H3,(H2,21,22)
InChIKeyPWRYPXJEFXDTOE-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.52
Rot. Bonds5

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

2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56866964) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56866964
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)c(C)n1
InChIInChI=1S/C19H22N6S/c1-5-25-10-16(12(2)23-25)14-7-17(22-19(21)15(14)8-20)18-6-13(11-26-18)9-24(3)4/h6-7,10-11H,5,9H2,1-4H3,(H2,21,22)
InChIKeyPWRYPXJEFXDTOE-UHFFFAOYSA-N
XLogP3.52
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56866964) is 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile is CCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)c(C)n1.
What is the InChIKey of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is PWRYPXJEFXDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-5-25-10-16(12(2)23-25)14-7-17(22-19(21)15(14)8-20)18-6-13(11-26-18)9-24(3)4/h6-7,10-11H,5,9H2,1-4H3,(H2,21,22).
What are the key properties of 2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-6-[4-[(dimethylamino)methyl]thiophen-2-yl]-4-(1-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 366.49 g/mol, XLogP of 3.52, 5 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-ethyl-3-methylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56866964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).