4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile

C17H19N3 — CID 63882717

IUPAC4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)c1ccc(CNCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3/c1-13(2)16-5-3-14(4-6-16)11-19-12-15-7-8-20-17(9-15)10-18/h3-9,13,19H,11-12H2,1-2H3
InChIKeyISOOAWXKZAMMMY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds5

About 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile

4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63882717) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID63882717
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)c1ccc(CNCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3/c1-13(2)16-5-3-14(4-6-16)11-19-12-15-7-8-20-17(9-15)10-18/h3-9,13,19H,11-12H2,1-2H3
InChIKeyISOOAWXKZAMMMY-UHFFFAOYSA-N
XLogP3.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
CID 63889442
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
CID 82715637
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile (CID 63882717) is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile is CC(C)c1ccc(CNCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is ISOOAWXKZAMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(2)16-5-3-14(4-6-16)11-19-12-15-7-8-20-17(9-15)10-18/h3-9,13,19H,11-12H2,1-2H3.
What are the key properties of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).