2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid

C18H24N2O3 — CID 156741307

IUPAC2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNc1cnc(OC)c(/C=C/C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C18H24N2O3/c1-13(18(21)22)11-19-16-10-15(17(23-2)20-12-16)9-8-14-6-4-3-5-7-14/h8-10,12,14,19H,1,3-7,11H2,2H3,(H,21,22)/b9-8+
InChIKeyZBKTUBOHXOLMAM-CMDGGOBGSA-N
MW316.40 g/mol
LogP3.74
Rot. Bonds7

About 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid

2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid (PubChem CID 156741307) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid
PubChem CID156741307
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNc1cnc(OC)c(/C=C/C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C18H24N2O3/c1-13(18(21)22)11-19-16-10-15(17(23-2)20-12-16)9-8-14-6-4-3-5-7-14/h8-10,12,14,19H,1,3-7,11H2,2H3,(H,21,22)/b9-8+
InChIKeyZBKTUBOHXOLMAM-CMDGGOBGSA-N
XLogP3.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid with MolForge

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Related Compounds

N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 176938808
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform
CID 156741288
N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741275
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
CID 170318336
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-N-[[3-[2-hydroxy-2-(methylamino)ethyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 156705426
N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741178
2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 104516749

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid (CID 156741307) is 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid is C=C(CNc1cnc(OC)c(/C=C/C2CCCCC2)c1)C(=O)O.
What is the InChIKey of 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid?
The InChIKey is ZBKTUBOHXOLMAM-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(18(21)22)11-19-16-10-15(17(23-2)20-12-16)9-8-14-6-4-3-5-7-14/h8-10,12,14,19H,1,3-7,11H2,2H3,(H,21,22)/b9-8+.
What are the key properties of 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid?
2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid has a molecular weight of 316.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 156741307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).