methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate

C16H16N2O4 — CID 67326276

IUPACmethyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4/c1-22-16(21)14(9-11-4-6-13(19)7-5-11)18-15(20)12-3-2-8-17-10-12/h2-8,10,14,19H,9H2,1H3,(H,18,20)
InChIKeyZYXFAECFOFEAJH-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate

methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate (PubChem CID 67326276) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
PubChem CID67326276
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4/c1-22-16(21)14(9-11-4-6-13(19)7-5-11)18-15(20)12-3-2-8-17-10-12/h2-8,10,14,19H,9H2,1H3,(H,18,20)
InChIKeyZYXFAECFOFEAJH-UHFFFAOYSA-N
XLogP1.30
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-[4-[(4-hydroxybenzoyl)amino]phenyl]-2-(pyridine-3-carbonylamino)propanoate
CID 102573921
tert-butyl-chloro-dimethylsilane;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(pyridine-3-carbonylamino)propanoate;methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 157344360
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
methyl 3-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoate
CID 108799703
methyl 4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate
CID 141299622
methyl 3-(4-oxocyclohexen-1-yl)-2-(pyridine-3-carbonylamino)propanoate
CID 123721274
methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
CID 16751778
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119626077
methyl (2S)-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethoxycarbonylamino)propanoate
CID 131740234
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
(2-methoxy-4-prop-2-enylphenyl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate
CID 53340645

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate (CID 67326276) is methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate is COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate?
The InChIKey is ZYXFAECFOFEAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-16(21)14(9-11-4-6-13(19)7-5-11)18-15(20)12-3-2-8-17-10-12/h2-8,10,14,19H,9H2,1H3,(H,18,20).
What are the key properties of methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate?
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate has a molecular weight of 300.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 67326276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).