N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide

C16H16N2O3 — CID 171158551

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H16N2O3/c19-14(13-7-4-8-16(21)18-13)11-17-15(20)10-9-12-5-2-1-3-6-12/h1-10,14,19H,11H2,(H,17,20)(H,18,21)
InChIKeyMNIRTPXBQOFQHR-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.24
Rot. Bonds5

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 171158551) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID171158551
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H16N2O3/c19-14(13-7-4-8-16(21)18-13)11-17-15(20)10-9-12-5-2-1-3-6-12/h1-10,14,19H,11H2,(H,17,20)(H,18,21)
InChIKeyMNIRTPXBQOFQHR-UHFFFAOYSA-N
XLogP1.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 97414006
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 23874492
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
3-[3-(4-fluorophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113763
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide (CID 171158551) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NCC(O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is MNIRTPXBQOFQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(13-7-4-8-16(21)18-13)11-17-15(20)10-9-12-5-2-1-3-6-12/h1-10,14,19H,11H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 284.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171158551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).