2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

C25H26N4O3 — CID 121417937

IUPAC2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C25H26N4O3/c1-16-21(10-17-13-27-25(28-14-17)29(2)3)20-8-7-18(31-4)11-23(20)22(16)12-24(30)26-15-19-6-5-9-32-19/h5-11,13-14H,12,15H2,1-4H3,(H,26,30)/b21-10-
InChIKeyJPPQYEFODJCBAR-FBHDLOMBSA-N
MW430.51 g/mol
LogP4.18
Rot. Bonds7

About 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 121417937) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID121417937
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C25H26N4O3/c1-16-21(10-17-13-27-25(28-14-17)29(2)3)20-8-7-18(31-4)11-23(20)22(16)12-24(30)26-15-19-6-5-9-32-19/h5-11,13-14H,12,15H2,1-4H3,(H,26,30)/b21-10-
InChIKeyJPPQYEFODJCBAR-FBHDLOMBSA-N
XLogP4.18
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide
CID 121417873
2-[(3Z)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121393630
2-[(3Z)-3-[(3-bromo-5-methoxy-4-methylphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121423183
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]methyl dihydrogen phosphate
CID 121417794
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175053323
2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
CID 151582841
2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 146478022
[4-[(Z)-[3-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl]boronic acid;2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetic acid;2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetic acid
CID 163852326
[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175054234
[4-[(Z)-[3-[(E)-2-(furan-2-ylmethylamino)hex-2-enyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2-methoxy-6-methylphenyl] benzoate
CID 139505517
2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 169429745
2-[3-[[4-(dimethylamino)phenyl]methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146446794

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 121417937) is 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is COc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cnc(N(C)C)nc1.
What is the InChIKey of 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JPPQYEFODJCBAR-FBHDLOMBSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-21(10-17-13-27-25(28-14-17)29(2)3)20-8-7-18(31-4)11-23(20)22(16)12-24(30)26-15-19-6-5-9-32-19/h5-11,13-14H,12,15H2,1-4H3,(H,26,30)/b21-10-.
What are the key properties of 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 121417937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).