2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile

C12H13N5O — CID 60967015

IUPAC2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
SMILESCOCCn1cc(Nc2ncccc2C#N)cn1
InChIInChI=1S/C12H13N5O/c1-18-6-5-17-9-11(8-15-17)16-12-10(7-13)3-2-4-14-12/h2-4,8-9H,5-6H2,1H3,(H,14,16)
InChIKeyNYZDSPPSDOFBIG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.54
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile

2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 60967015) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
PubChem CID60967015
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
SMILESCOCCn1cc(Nc2ncccc2C#N)cn1
InChIInChI=1S/C12H13N5O/c1-18-6-5-17-9-11(8-15-17)16-12-10(7-13)3-2-4-14-12/h2-4,8-9H,5-6H2,1H3,(H,14,16)
InChIKeyNYZDSPPSDOFBIG-UHFFFAOYSA-N
XLogP1.54
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile (CID 60967015) is 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile is COCCn1cc(Nc2ncccc2C#N)cn1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is NYZDSPPSDOFBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-6-5-17-9-11(8-15-17)16-12-10(7-13)3-2-4-14-12/h2-4,8-9H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60967015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).