4-[(4-methylanilino)methyl]pyridine-2-carbonitrile

C14H13N3 — CID 63882858

IUPAC4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H13N3/c1-11-2-4-13(5-3-11)17-10-12-6-7-16-14(8-12)9-15/h2-8,17H,10H2,1H3
InChIKeyAGIQMLNJAGKFEW-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile

4-[(4-methylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63882858) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
PubChem CID63882858
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H13N3/c1-11-2-4-13(5-3-11)17-10-12-6-7-16-14(8-12)9-15/h2-8,17H,10H2,1H3
InChIKeyAGIQMLNJAGKFEW-UHFFFAOYSA-N
XLogP2.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile (CID 63882858) is 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile is Cc1ccc(NCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is AGIQMLNJAGKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-2-4-13(5-3-11)17-10-12-6-7-16-14(8-12)9-15/h2-8,17H,10H2,1H3.
What are the key properties of 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile?
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).