3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile

C17H19N3 — CID 62893550

IUPAC3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)c1ccc(CNCc2cccnc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-13(2)15-7-5-14(6-8-15)11-19-12-16-4-3-9-20-17(16)10-18/h3-9,13,19H,11-12H2,1-2H3
InChIKeyYHZGIRFIBDYKJQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds5

About 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile

3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62893550) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62893550
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)c1ccc(CNCc2cccnc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-13(2)15-7-5-14(6-8-15)11-19-12-16-4-3-9-20-17(16)10-18/h3-9,13,19H,11-12H2,1-2H3
InChIKeyYHZGIRFIBDYKJQ-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

3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]pyridine-2-carbonitrile
CID 66090692
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile (CID 62893550) is 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile is CC(C)c1ccc(CNCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is YHZGIRFIBDYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(2)15-7-5-14(6-8-15)11-19-12-16-4-3-9-20-17(16)10-18/h3-9,13,19H,11-12H2,1-2H3.
What are the key properties of 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile?
3-[[(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 3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).