2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile

C20H23N3 — CID 74238216

IUPAC2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1
InChIInChI=1S/C20H23N3/c1-20(2,15-21)18-8-6-17(7-9-18)19-10-5-16(13-22-19)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyZEYGCSPJIYXQRS-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.15
Rot. Bonds4

About 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile

2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile (PubChem CID 74238216) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
PubChem CID74238216
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1
InChIInChI=1S/C20H23N3/c1-20(2,15-21)18-8-6-17(7-9-18)19-10-5-16(13-22-19)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyZEYGCSPJIYXQRS-UHFFFAOYSA-N
XLogP4.15
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
CID 74247167
2-[6-(4-tert-butylphenyl)-3-pyridinyl]acetonitrile
CID 67155708
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122558965
2-methyl-2-[4-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propanenitrile
CID 66576870
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile (CID 74238216) is 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile is CC(C)(C#N)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1.
What is the InChIKey of 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile?
The InChIKey is ZEYGCSPJIYXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-20(2,15-21)18-8-6-17(7-9-18)19-10-5-16(13-22-19)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile?
2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile has a molecular weight of 305.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile is sourced from PubChem (CID 74238216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).