4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile

C18H21N3 — CID 114481266

IUPAC4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
SMILESCCN(Cc1cccc(C)n1)Cc1ccc(C#N)cc1C
InChIInChI=1S/C18H21N3/c1-4-21(13-18-7-5-6-15(3)20-18)12-17-9-8-16(11-19)10-14(17)2/h5-10H,4,12-13H2,1-3H3
InChIKeyRSLFIDWMUNAROF-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.59
Rot. Bonds5

About 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile

4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile (PubChem CID 114481266) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
PubChem CID114481266
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
SMILESCCN(Cc1cccc(C)n1)Cc1ccc(C#N)cc1C
InChIInChI=1S/C18H21N3/c1-4-21(13-18-7-5-6-15(3)20-18)12-17-9-8-16(11-19)10-14(17)2/h5-10H,4,12-13H2,1-3H3
InChIKeyRSLFIDWMUNAROF-UHFFFAOYSA-N
XLogP3.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[cyanomethyl(ethyl)amino]methyl]-3-methylbenzonitrile
CID 114480910
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile
CID 104712146
2-methyl-6-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114766459
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113254240
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
3-methyl-4-[[methyl(propan-2-yl)amino]methyl]benzonitrile
CID 114480950
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
2-[(4-cyano-2-methylphenyl)methyl-propylamino]-N-methylacetamide
CID 114481086
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 114481231

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile (CID 114481266) is 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile is CCN(Cc1cccc(C)n1)Cc1ccc(C#N)cc1C.
What is the InChIKey of 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile?
The InChIKey is RSLFIDWMUNAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-21(13-18-7-5-6-15(3)20-18)12-17-9-8-16(11-19)10-14(17)2/h5-10H,4,12-13H2,1-3H3.
What are the key properties of 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile?
4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile has a molecular weight of 279.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114481266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).