(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine

C22H25N — CID 10470251

IUPAC(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine
SMILESCC1=C(C)[C@H](Cc2ccccc2)N([C@H](C)c2ccccc2)C=C1
InChIInChI=1S/C22H25N/c1-17-14-15-23(19(3)21-12-8-5-9-13-21)22(18(17)2)16-20-10-6-4-7-11-20/h4-15,19,22H,16H2,1-3H3/t19-,22+/m1/s1
InChIKeyVYBLOMCLOBQTIV-KNQAVFIVSA-N
MW303.45 g/mol
LogP5.52
Rot. Bonds4

About (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine

(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine (PubChem CID 10470251) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine.

Molecular Properties

Compound Name(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine
PubChem CID10470251
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine
SMILESCC1=C(C)[C@H](Cc2ccccc2)N([C@H](C)c2ccccc2)C=C1
InChIInChI=1S/C22H25N/c1-17-14-15-23(19(3)21-12-8-5-9-13-21)22(18(17)2)16-20-10-6-4-7-11-20/h4-15,19,22H,16H2,1-3H3/t19-,22+/m1/s1
InChIKeyVYBLOMCLOBQTIV-KNQAVFIVSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(2R,3S)-3-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]-1-[(1S)-1-phenylethyl]-2,3-dihydropyridin-4-one
CID 25180053
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one
CID 73110840
3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole
CID 24977597
6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 11722655
1-(1-phenylethyl)-2H-pyridin-2-amine
CID 70399962
(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 10588595
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
CID 173292599
ethane;(3S,6R,9S,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 131676364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine?
The IUPAC name of (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine (CID 10470251) is (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine.
What is the SMILES notation for (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine?
The canonical SMILES for (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine is CC1=C(C)[C@H](Cc2ccccc2)N([C@H](C)c2ccccc2)C=C1.
What is the InChIKey of (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine?
The InChIKey is VYBLOMCLOBQTIV-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H25N/c1-17-14-15-23(19(3)21-12-8-5-9-13-21)22(18(17)2)16-20-10-6-4-7-11-20/h4-15,19,22H,16H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine?
(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine has a molecular weight of 303.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine is sourced from PubChem (CID 10470251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).