[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate

C17H18N2O3 — CID 12847830

IUPAC[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-12(2)9-15(8-11)16(21)19-10-14-5-4-6-18-17(14)22-13(3)20/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWWTZPTDSPPVBCE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.55
Rot. Bonds4

About [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate

[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate (PubChem CID 12847830) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate.

Molecular Properties

Compound Name[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
PubChem CID12847830
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-12(2)9-15(8-11)16(21)19-10-14-5-4-6-18-17(14)22-13(3)20/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWWTZPTDSPPVBCE-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
[3-(3-aminopropyl)-2-pyridinyl] acetate
CID 174988941
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642

Frequently Asked Questions

What is the IUPAC name of [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate?
The IUPAC name of [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate (CID 12847830) is [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate.
What is the SMILES notation for [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate?
The canonical SMILES for [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate is CC(=O)Oc1ncccc1CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate?
The InChIKey is WWTZPTDSPPVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-12(2)9-15(8-11)16(21)19-10-14-5-4-6-18-17(14)22-13(3)20/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate?
[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate has a molecular weight of 298.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate is sourced from PubChem (CID 12847830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).