4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C16H15N5 — CID 63885763

IUPAC4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#CCCN(Cc1cccnc1)Cc1ccnc(C#N)c1
InChIInChI=1S/C16H15N5/c17-5-2-8-21(13-15-3-1-6-19-11-15)12-14-4-7-20-16(9-14)10-18/h1,3-4,6-7,9,11H,2,8,12-13H2
InChIKeyUWPJKPWZCSPLCQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.26
Rot. Bonds6

About 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile

4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63885763) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63885763
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#CCCN(Cc1cccnc1)Cc1ccnc(C#N)c1
InChIInChI=1S/C16H15N5/c17-5-2-8-21(13-15-3-1-6-19-11-15)12-14-4-7-20-16(9-14)10-18/h1,3-4,6-7,9,11H,2,8,12-13H2
InChIKeyUWPJKPWZCSPLCQ-UHFFFAOYSA-N
XLogP2.26
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
CID 74229300
3-[(2-amino-5-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43443738
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880764
3-[[1-(bromomethyl)cyclopropyl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 65013487
3-[(3-bromo-2-methylpropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64995711
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
3-[(2-amino-6-bromophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43168952
3-[(2-bromo-3,3,3-trifluoropropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64758935
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61386099
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626812
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80610163

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 63885763) is 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile is N#CCCN(Cc1cccnc1)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is UWPJKPWZCSPLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-5-2-8-21(13-15-3-1-6-19-11-15)12-14-4-7-20-16(9-14)10-18/h1,3-4,6-7,9,11H,2,8,12-13H2.
What are the key properties of 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).