N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H20N2O2 — CID 95977243

IUPACN-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-10-4-6-13(8-11(10)2)15-9-16(15)20-18(22)14-7-5-12(3)19-17(14)21/h4-8,15-16H,9H2,1-3H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyIMGWUNJZXRCWSN-HOTGVXAUSA-N
MW296.37 g/mol
LogP2.59
Rot. Bonds3

About N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95977243) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95977243
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-10-4-6-13(8-11(10)2)15-9-16(15)20-18(22)14-7-5-12(3)19-17(14)21/h4-8,15-16H,9H2,1-3H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyIMGWUNJZXRCWSN-HOTGVXAUSA-N
XLogP2.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95977243) is N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(C)c(C)c2)c(=O)[nH]1.
What is the InChIKey of N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IMGWUNJZXRCWSN-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-10-4-6-13(8-11(10)2)15-9-16(15)20-18(22)14-7-5-12(3)19-17(14)21/h4-8,15-16H,9H2,1-3H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).