N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H22N2O2 — CID 99932630

IUPACN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cccn(C)c1=O)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2O2/c1-5-16(14-9-8-12(2)11-13(14)3)19-17(21)15-7-6-10-20(4)18(15)22/h6-11,16H,5H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyFACNQAJMOQUXIO-MRXNPFEDSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds4

About N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 99932630) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID99932630
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cccn(C)c1=O)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2O2/c1-5-16(14-9-8-12(2)11-13(14)3)19-17(21)15-7-6-10-20(4)18(15)22/h6-11,16H,5H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyFACNQAJMOQUXIO-MRXNPFEDSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 132652311
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670901
2-chloro-N-[1-(2,4-dimethylphenyl)propyl]-4-nitrobenzamide
CID 132652757
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72936682
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 99932630) is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide is CC[C@@H](NC(=O)c1cccn(C)c1=O)c1ccc(C)cc1C.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FACNQAJMOQUXIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-16(14-9-8-12(2)11-13(14)3)19-17(21)15-7-6-10-20(4)18(15)22/h6-11,16H,5H2,1-4H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 99932630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).