4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile

C17H20N4 — CID 62981948

IUPAC4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
SMILESCCCNc1ccc(CN(C)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4/c1-3-10-19-17-9-6-15(12-20-17)13-21(2)16-7-4-14(11-18)5-8-16/h4-9,12H,3,10,13H2,1-2H3,(H,19,20)
InChIKeyCCCAXZZARIZBBW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds6

About 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile

4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile (PubChem CID 62981948) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
PubChem CID62981948
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
SMILESCCCNc1ccc(CN(C)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4/c1-3-10-19-17-9-6-15(12-20-17)13-21(2)16-7-4-14(11-18)5-8-16/h4-9,12H,3,10,13H2,1-2H3,(H,19,20)
InChIKeyCCCAXZZARIZBBW-UHFFFAOYSA-N
XLogP3.41
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62983329
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 55046130
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
CID 80823294
2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62182263
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62861753

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The IUPAC name of 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile (CID 62981948) is 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile.
What is the SMILES notation for 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The canonical SMILES for 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile is CCCNc1ccc(CN(C)c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The InChIKey is CCCAXZZARIZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-10-19-17-9-6-15(12-20-17)13-21(2)16-7-4-14(11-18)5-8-16/h4-9,12H,3,10,13H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile is sourced from PubChem (CID 62981948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).