2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile

C11H11N5 — CID 55150359

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
SMILESCn1cc(CNc2cc(C#N)ccn2)cn1
InChIInChI=1S/C11H11N5/c1-16-8-10(7-15-16)6-14-11-4-9(5-12)2-3-13-11/h2-4,7-8H,6H2,1H3,(H,13,14)
InChIKeyIAYJGEAOUXCXCZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.30
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile

2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 55150359) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
PubChem CID55150359
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
SMILESCn1cc(CNc2cc(C#N)ccn2)cn1
InChIInChI=1S/C11H11N5/c1-16-8-10(7-15-16)6-14-11-4-9(5-12)2-3-13-11/h2-4,7-8H,6H2,1H3,(H,13,14)
InChIKeyIAYJGEAOUXCXCZ-UHFFFAOYSA-N
XLogP1.30
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile (CID 55150359) is 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile is Cn1cc(CNc2cc(C#N)ccn2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is IAYJGEAOUXCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-8-10(7-15-16)6-14-11-4-9(5-12)2-3-13-11/h2-4,7-8H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile?
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 55150359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).