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

C14H13N3O — CID 54965543

IUPAC2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
SMILESCOCc1cccc(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H13N3O/c1-18-10-12-3-2-4-13(7-12)17-14-8-11(9-15)5-6-16-14/h2-8H,10H2,1H3,(H,16,17)
InChIKeyRXQYZXUUGPWZTO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.84
Rot. Bonds4

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

2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile (PubChem CID 54965543) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
PubChem CID54965543
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
SMILESCOCc1cccc(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H13N3O/c1-18-10-12-3-2-4-13(7-12)17-14-8-11(9-15)5-6-16-14/h2-8H,10H2,1H3,(H,16,17)
InChIKeyRXQYZXUUGPWZTO-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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Related Compounds

2-anilinopyridine-4-carbonitrile
CID 24696970
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
CID 62895073
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]benzonitrile
CID 113400770
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
CID 63669379
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 104778246
2-[3-[(2-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 143930397
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
3-(methoxymethyl)-N-methylaniline
CID 23080905
2-[3-(methoxymethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608318

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile (CID 54965543) is 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile is COCc1cccc(Nc2cc(C#N)ccn2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile?
The InChIKey is RXQYZXUUGPWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-10-12-3-2-4-13(7-12)17-14-8-11(9-15)5-6-16-14/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile?
2-[3-(methoxymethyl)anilino]pyridine-4-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 2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 54965543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).