[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate

C16H16N2O3 — CID 166793684

IUPAC[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccnc(-c2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-13(3-4-14(10)16(17)20)15-8-12(5-6-18-15)9-21-11(2)19/h3-8H,9H2,1-2H3,(H2,17,20)
InChIKeyVRISPGSMYOUVQE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds4

About [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate

[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate (PubChem CID 166793684) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
PubChem CID166793684
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccnc(-c2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-13(3-4-14(10)16(17)20)15-8-12(5-6-18-15)9-21-11(2)19/h3-8H,9H2,1-2H3,(H2,17,20)
InChIKeyVRISPGSMYOUVQE-UHFFFAOYSA-N
XLogP2.22
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate?
The IUPAC name of [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate (CID 166793684) is [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate.
What is the SMILES notation for [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate?
The canonical SMILES for [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate is CC(=O)OCc1ccnc(-c2ccc(C(N)=O)c(C)c2)c1.
What is the InChIKey of [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate?
The InChIKey is VRISPGSMYOUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-13(3-4-14(10)16(17)20)15-8-12(5-6-18-15)9-21-11(2)19/h3-8H,9H2,1-2H3,(H2,17,20).
What are the key properties of [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate?
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate has a molecular weight of 284.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate is sourced from PubChem (CID 166793684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).