N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide

C20H25N3O3 — CID 87050500

IUPACN-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C20H25N3O3/c1-14(2)11-12-21-18(24)13-23-15(3)9-10-17(20(23)26)22-19(25)16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYKCYOCKKTSGPBC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.57
Rot. Bonds7

About N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide

N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide (PubChem CID 87050500) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
PubChem CID87050500
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C20H25N3O3/c1-14(2)11-12-21-18(24)13-23-15(3)9-10-17(20(23)26)22-19(25)16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYKCYOCKKTSGPBC-UHFFFAOYSA-N
XLogP2.57
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide
CID 87050516
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
CID 87050503
4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 87050548
2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 53091156
N-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 45268260
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
2-[6-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 87050622

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide (CID 87050500) is N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCC(C)C.
What is the InChIKey of N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?
The InChIKey is YKCYOCKKTSGPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)11-12-21-18(24)13-23-15(3)9-10-17(20(23)26)22-19(25)16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?
N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 87050500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).