2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

C18H19N7 — CID 71922532

IUPAC2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(NCCNc3ncccc3C#N)nc2)n1
InChIInChI=1S/C18H19N7/c1-13-10-14(2)25(24-13)16-5-6-17(23-12-16)20-8-9-22-18-15(11-19)4-3-7-21-18/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJZHCJWAWMOFCDN-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 71922532) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID71922532
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(NCCNc3ncccc3C#N)nc2)n1
InChIInChI=1S/C18H19N7/c1-13-10-14(2)25(24-13)16-5-6-17(23-12-16)20-8-9-22-18-15(11-19)4-3-7-21-18/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJZHCJWAWMOFCDN-UHFFFAOYSA-N
XLogP2.67
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (CID 71922532) is 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is Cc1cc(C)n(-c2ccc(NCCNc3ncccc3C#N)nc2)n1.
What is the InChIKey of 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is JZHCJWAWMOFCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-13-10-14(2)25(24-13)16-5-6-17(23-12-16)20-8-9-22-18-15(11-19)4-3-7-21-18/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 71922532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).