(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione

C19H15N3O5 — CID 7659980

IUPAC(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(=O)/C=C/c2ccncc2)C1=O
InChIInChI=1S/C19H15N3O5/c1-27-15-5-3-2-4-13(15)22-18(25)16(17(24)21-19(22)26)14(23)7-6-12-8-10-20-11-9-12/h2-11,16H,1H3,(H,21,24,26)/b7-6+/t16-/m1/s1
InChIKeyBTTUKLXEKPFNQZ-FYCOFBDGSA-N
MW365.35 g/mol
LogP1.57
Rot. Bonds5

About (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione

(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7659980) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7659980
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(=O)/C=C/c2ccncc2)C1=O
InChIInChI=1S/C19H15N3O5/c1-27-15-5-3-2-4-13(15)22-18(25)16(17(24)21-19(22)26)14(23)7-6-12-8-10-20-11-9-12/h2-11,16H,1H3,(H,21,24,26)/b7-6+/t16-/m1/s1
InChIKeyBTTUKLXEKPFNQZ-FYCOFBDGSA-N
XLogP1.57
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 98095450
(5E)-3-(2-methoxyphenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 19546802
5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 106110763
5-(2-chloroacetyl)-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054938
(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one;hydrochloride
CID 6446753
3-(2-methoxyphenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 43558028
5-acetyl-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 3277901
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434508
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione (CID 7659980) is (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione is COc1ccccc1N1C(=O)NC(=O)[C@@H](C(=O)/C=C/c2ccncc2)C1=O.
What is the InChIKey of (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is BTTUKLXEKPFNQZ-FYCOFBDGSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-27-15-5-3-2-4-13(15)22-18(25)16(17(24)21-19(22)26)14(23)7-6-12-8-10-20-11-9-12/h2-11,16H,1H3,(H,21,24,26)/b7-6+/t16-/m1/s1.
What are the key properties of (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione?
(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 365.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7659980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).