[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate

C15H15N3O3 — CID 108865397

IUPAC[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10-6-7-14(16-9-10)18-15(20)17-12-4-3-5-13(8-12)21-11(2)19/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyFWWBNABRCCASDP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.96
Rot. Bonds3

About [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate

[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate (PubChem CID 108865397) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
PubChem CID108865397
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10-6-7-14(16-9-10)18-15(20)17-12-4-3-5-13(8-12)21-11(2)19/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyFWWBNABRCCASDP-UHFFFAOYSA-N
XLogP2.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
CID 108865160
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
CID 62355150
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate (CID 108865397) is [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate?
The InChIKey is FWWBNABRCCASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-6-7-14(16-9-10)18-15(20)17-12-4-3-5-13(8-12)21-11(2)19/h3-9H,1-2H3,(H2,16,17,18,20).
What are the key properties of [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate?
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate has a molecular weight of 285.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).