4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile

C14H13N3O — CID 55155908

IUPAC4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile
SMILESCOCc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3O/c1-18-10-11-3-2-4-12(7-11)17-13-5-6-16-14(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyMYDFHZXUWZRJEQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.84
Rot. Bonds4

About 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile

4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile (PubChem CID 55155908) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile
PubChem CID55155908
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile
SMILESCOCc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3O/c1-18-10-11-3-2-4-12(7-11)17-13-5-6-16-14(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyMYDFHZXUWZRJEQ-UHFFFAOYSA-N
XLogP2.84
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile (CID 55155908) is 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile is COCc1cccc(Nc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is MYDFHZXUWZRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-10-11-3-2-4-12(7-11)17-13-5-6-16-14(8-13)9-15/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile?
4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 55155908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).