4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile

C13H12N4O — CID 1487431

IUPAC4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H12N4O/c1-18-12-4-6-16-13(11(12)7-14)17-9-10-3-2-5-15-8-10/h2-6,8H,9H2,1H3,(H,16,17)
InChIKeyYZTZNPDIKKDNPU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.97
Rot. Bonds4

About 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile

4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 1487431) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
PubChem CID1487431
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H12N4O/c1-18-12-4-6-16-13(11(12)7-14)17-9-10-3-2-5-15-8-10/h2-6,8H,9H2,1H3,(H,16,17)
InChIKeyYZTZNPDIKKDNPU-UHFFFAOYSA-N
XLogP1.97
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile (CID 1487431) is 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile is COc1ccnc(NCc2cccnc2)c1C#N.
What is the InChIKey of 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is YZTZNPDIKKDNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-12-4-6-16-13(11(12)7-14)17-9-10-3-2-5-15-8-10/h2-6,8H,9H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile?
4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 1487431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).