2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile

C17H22N6 — CID 122193943

IUPAC2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22N6/c1-12(2)23-15(14-4-6-19-7-5-14)10-17(22-23)21-16-9-13(11-18)3-8-20-16/h3,8-10,12,14,19H,4-7H2,1-2H3,(H,20,21,22)
InChIKeyPZXSYKGUMOGQBI-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.94
Rot. Bonds4

About 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile

2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 122193943) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
PubChem CID122193943
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22N6/c1-12(2)23-15(14-4-6-19-7-5-14)10-17(22-23)21-16-9-13(11-18)3-8-20-16/h3,8-10,12,14,19H,4-7H2,1-2H3,(H,20,21,22)
InChIKeyPZXSYKGUMOGQBI-UHFFFAOYSA-N
XLogP2.94
TPSA78.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile (CID 122193943) is 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile is CC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCNCC1.
What is the InChIKey of 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is PZXSYKGUMOGQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12(2)23-15(14-4-6-19-7-5-14)10-17(22-23)21-16-9-13(11-18)3-8-20-16/h3,8-10,12,14,19H,4-7H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile?
2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile has a molecular weight of 310.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 122193943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).