[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate

C15H14N2O3 — CID 102173247

IUPAC[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1CNC(=O)c1ccccn1
InChIInChI=1S/C15H14N2O3/c1-11(18)20-14-8-3-2-6-12(14)10-17-15(19)13-7-4-5-9-16-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFCVKWUHFQPACIR-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.94
Rot. Bonds4

About [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate

[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate (PubChem CID 102173247) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
PubChem CID102173247
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1CNC(=O)c1ccccn1
InChIInChI=1S/C15H14N2O3/c1-11(18)20-14-8-3-2-6-12(14)10-17-15(19)13-7-4-5-9-16-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFCVKWUHFQPACIR-UHFFFAOYSA-N
XLogP1.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218

Frequently Asked Questions

What is the IUPAC name of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?
The IUPAC name of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate (CID 102173247) is [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate.
What is the SMILES notation for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?
The canonical SMILES for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate is CC(=O)Oc1ccccc1CNC(=O)c1ccccn1.
What is the InChIKey of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?
The InChIKey is FCVKWUHFQPACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11(18)20-14-8-3-2-6-12(14)10-17-15(19)13-7-4-5-9-16-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate has a molecular weight of 270.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate is sourced from PubChem (CID 102173247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).