N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C16H18N2O2 — CID 17495468

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C16H18N2O2/c1-10-6-7-11(2)14(9-10)12(3)18-16(20)13-5-4-8-17-15(13)19/h4-9,12H,1-3H3,(H,17,19)(H,18,20)
InChIKeyVZXVKJWIIIROPJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 17495468) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID17495468
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C16H18N2O2/c1-10-6-7-11(2)14(9-10)12(3)18-16(20)13-5-4-8-17-15(13)19/h4-9,12H,1-3H3,(H,17,19)(H,18,20)
InChIKeyVZXVKJWIIIROPJ-UHFFFAOYSA-N
XLogP2.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 26708469
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 17495468) is N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VZXVKJWIIIROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-6-7-11(2)14(9-10)12(3)18-16(20)13-5-4-8-17-15(13)19/h4-9,12H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17495468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).