N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide

C50H56N4O4 — CID 162163581

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)cc([C@@H](C)c3ccccc3)cc2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)cc([C@H](C)c3ccccc3)cc2C)c(=O)[nH]1
InChIInChI=1S/2C25H28N2O2/c2*1-15-11-18(4)27-24(28)22(15)14-26-25(29)23-16(2)12-21(13-17(23)3)19(5)20-9-7-6-8-10-20/h2*6-13,19H,14H2,1-5H3,(H,26,29)(H,27,28)/t2*19-/m10/s1
InChIKeyZMUZAKOMYRWHPN-OYPHMNEHSA-N
MW777.02 g/mol
LogP9.38
Rot. Bonds10

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide (PubChem CID 162163581) has the molecular formula C50H56N4O4 and a molecular weight of 777.02 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
PubChem CID162163581
Molecular FormulaC50H56N4O4
Molecular Weight777.02 g/mol
Exact Mass776.43
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)cc([C@@H](C)c3ccccc3)cc2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)cc([C@H](C)c3ccccc3)cc2C)c(=O)[nH]1
InChIInChI=1S/2C25H28N2O2/c2*1-15-11-18(4)27-24(28)22(15)14-26-25(29)23-16(2)12-21(13-17(23)3)19(5)20-9-7-6-8-10-20/h2*6-13,19H,14H2,1-5H3,(H,26,29)(H,27,28)/t2*19-/m10/s1
InChIKeyZMUZAKOMYRWHPN-OYPHMNEHSA-N
XLogP9.38
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.02
LogP ≤ 59.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
CID 71661182
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
CID 71715864
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-2-methylindole-3-carboxamide
CID 122186509
tert-butyl N-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-oxo-1-phenylbutyl]carbamate
CID 86891375
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide (CID 162163581) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide is Cc1cc(C)c(CNC(=O)c2c(C)cc([C@@H](C)c3ccccc3)cc2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)cc([C@H](C)c3ccccc3)cc2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide?
The InChIKey is ZMUZAKOMYRWHPN-OYPHMNEHSA-N. The full InChI is InChI=1S/2C25H28N2O2/c2*1-15-11-18(4)27-24(28)22(15)14-26-25(29)23-16(2)12-21(13-17(23)3)19(5)20-9-7-6-8-10-20/h2*6-13,19H,14H2,1-5H3,(H,26,29)(H,27,28)/t2*19-/m10/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide has a molecular weight of 777.02 g/mol, XLogP of 9.38, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 162163581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).