methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate

C15H16N2O2 — CID 13054234

IUPACmethyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(15(18)19-2)12-6-8-13(9-7-12)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17)
InChIKeyKGBXRNUHTZKIQX-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate

methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate (PubChem CID 13054234) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
PubChem CID13054234
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(15(18)19-2)12-6-8-13(9-7-12)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17)
InChIKeyKGBXRNUHTZKIQX-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate
CID 125466947
methyl (2S)-2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoate
CID 125466960
methyl (2R)-2-[4-[(5-bromo-2-pyridinyl)amino]phenyl]propanoate
CID 125466772
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-[3-(pyridin-2-ylamino)phenyl]propanamide
CID 67198973
(2R)-2-[3-(pyridin-2-ylamino)phenyl]propanoic acid
CID 92845475
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
methyl 2-(4-aminophenyl)propanoate
CID 3016109

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate (CID 13054234) is methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate is COC(=O)C(C)c1ccc(Nc2ccccn2)cc1.
What is the InChIKey of methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate?
The InChIKey is KGBXRNUHTZKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(15(18)19-2)12-6-8-13(9-7-12)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate?
methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate has a molecular weight of 256.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate is sourced from PubChem (CID 13054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).