4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile

C15H12N4 — CID 63883271

IUPAC4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(CNCc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H12N4/c16-8-12-2-1-3-13(6-12)10-18-11-14-4-5-19-15(7-14)9-17/h1-7,18H,10-11H2
InChIKeyPRPFFTWOKNPANR-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.11
Rot. Bonds4

About 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile

4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63883271) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID63883271
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(CNCc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H12N4/c16-8-12-2-1-3-13(6-12)10-18-11-14-4-5-19-15(7-14)9-17/h1-7,18H,10-11H2
InChIKeyPRPFFTWOKNPANR-UHFFFAOYSA-N
XLogP2.11
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881515
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
3-[[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119128702
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
CID 82738010
3-[[(3,4-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54936274
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile (CID 63883271) is 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile is N#Cc1cccc(CNCc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is PRPFFTWOKNPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-8-12-2-1-3-13(6-12)10-18-11-14-4-5-19-15(7-14)9-17/h1-7,18H,10-11H2.
What are the key properties of 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile?
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).