4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile

C15H15N3 — CID 70196230

IUPAC4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile
SMILESCNCc1ncccc1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3/c1-17-11-15-14(3-2-8-18-15)9-12-4-6-13(10-16)7-5-12/h2-8,17H,9,11H2,1H3
InChIKeyROXUWTDHMDSPFA-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.26
Rot. Bonds4

About 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile

4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile (PubChem CID 70196230) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile
PubChem CID70196230
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile
SMILESCNCc1ncccc1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3/c1-17-11-15-14(3-2-8-18-15)9-12-4-6-13(10-16)7-5-12/h2-8,17H,9,11H2,1H3
InChIKeyROXUWTDHMDSPFA-UHFFFAOYSA-N
XLogP2.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[[2-[(4-cyanophenyl)methyl]-3-pyridinyl]sulfanyl]-2-pyridinyl]methyl]benzonitrile
CID 141479318
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
2-[(4-cyanophenyl)methyl]-6-methylbenzonitrile
CID 170289973
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-5-fluorobenzonitrile
CID 82738847
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-methyl-2-(methylaminomethyl)pyridin-3-amine
CID 146386541
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
4-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60889745

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile (CID 70196230) is 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile is CNCc1ncccc1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile?
The InChIKey is ROXUWTDHMDSPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-17-11-15-14(3-2-8-18-15)9-12-4-6-13(10-16)7-5-12/h2-8,17H,9,11H2,1H3.
What are the key properties of 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile?
4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 70196230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).