4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine

C21H20N2O — CID 123252012

IUPAC4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine
SMILESCC(C(N=O)c1ccncc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16(21(23-24)19-12-14-22-15-13-19)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20-21H,1H3
InChIKeyXKMYQYGPAKNTOL-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.36
Rot. Bonds6

About 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine

4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine (PubChem CID 123252012) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine.

Molecular Properties

Compound Name4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine
PubChem CID123252012
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine
SMILESCC(C(N=O)c1ccncc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16(21(23-24)19-12-14-22-15-13-19)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20-21H,1H3
InChIKeyXKMYQYGPAKNTOL-UHFFFAOYSA-N
XLogP5.36
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
4-benzhydrylpyridine;ethane
CID 90843990
dilithium;hydride;(2-methyl-1,3,3-triphenylpropyl)benzene
CID 173113616
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
(1,2-diphenyl-2-pyridin-4-ylethyl)-dimethyl-phenylsilane
CID 170555113
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[methylsulfonyl(phenyl)methyl]pyridine
CID 11543303
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine?
The IUPAC name of 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine (CID 123252012) is 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine.
What is the SMILES notation for 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine?
The canonical SMILES for 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine is CC(C(N=O)c1ccncc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine?
The InChIKey is XKMYQYGPAKNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16(21(23-24)19-12-14-22-15-13-19)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20-21H,1H3.
What are the key properties of 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine?
4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine has a molecular weight of 316.40 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-nitroso-3,3-diphenylpropyl)pyridine is sourced from PubChem (CID 123252012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).