3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione

C20H17N3O4 — CID 75535890

IUPAC3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)c1=O
InChIInChI=1S/C20H17N3O4/c1-23-19(25)16(12-22-20(23)26)17(24)9-8-15-6-2-3-7-18(15)27-13-14-5-4-10-21-11-14/h2-12H,13H2,1H3,(H,22,26)/b9-8+
InChIKeyQXVODBIESVMEJQ-CMDGGOBGSA-N
MW363.37 g/mol
LogP1.94
Rot. Bonds6

About 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione (PubChem CID 75535890) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione
PubChem CID75535890
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)c1=O
InChIInChI=1S/C20H17N3O4/c1-23-19(25)16(12-22-20(23)26)17(24)9-8-15-6-2-3-7-18(15)27-13-14-5-4-10-21-11-14/h2-12H,13H2,1H3,(H,22,26)/b9-8+
InChIKeyQXVODBIESVMEJQ-CMDGGOBGSA-N
XLogP1.94
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,4-dimethoxyphenyl)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 52643113
N-[4-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56583647
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395982
3-[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 57361426
3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 4147644
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
propan-2-yl 2-cyano-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoate
CID 75693032
2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
CID 52643093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione (CID 75535890) is 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)c1=O.
What is the InChIKey of 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QXVODBIESVMEJQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-23-19(25)16(12-22-20(23)26)17(24)9-8-15-6-2-3-7-18(15)27-13-14-5-4-10-21-11-14/h2-12H,13H2,1H3,(H,22,26)/b9-8+.
What are the key properties of 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 75535890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).