(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid

C22H19NO4 — CID 69417219

IUPAC(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)O)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-18-9-3-15(4-10-18)20-13-7-17(8-14-21(24)25)23-22(20)16-5-11-19(27-2)12-6-16/h3-14H,1-2H3,(H,24,25)/b14-8+
InChIKeyDDCQCYWLZSVPGZ-RIYZIHGNSA-N
MW361.40 g/mol
LogP4.53
Rot. Bonds6

About (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid

(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid (PubChem CID 69417219) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
PubChem CID69417219
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)O)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-18-9-3-15(4-10-18)20-13-7-17(8-14-21(24)25)23-22(20)16-5-11-19(27-2)12-6-16/h3-14H,1-2H3,(H,24,25)/b14-8+
InChIKeyDDCQCYWLZSVPGZ-RIYZIHGNSA-N
XLogP4.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
(E)-3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987086
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid
CID 135185445
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
CID 167185408
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 11311515
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 776100
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid (CID 69417219) is (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid is COc1ccc(-c2ccc(/C=C/C(=O)O)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is DDCQCYWLZSVPGZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-18-9-3-15(4-10-18)20-13-7-17(8-14-21(24)25)23-22(20)16-5-11-19(27-2)12-6-16/h3-14H,1-2H3,(H,24,25)/b14-8+.
What are the key properties of (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid?
(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 69417219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).