(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide

C22H28N4O — CID 142907224

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
SMILESCCC/C=C(/CN(C)C(=O)/C=C/c1ccc(N)nc1)N(C)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-4-5-9-20(26(3)19-10-7-6-8-11-19)17-25(2)22(27)15-13-18-12-14-21(23)24-16-18/h6-16H,4-5,17H2,1-3H3,(H2,23,24)/b15-13+,20-9-
InChIKeyZOLQIOIBLLQUIQ-AZMAUJBXSA-N
MW364.49 g/mol
LogP3.96
Rot. Bonds8

About (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide (PubChem CID 142907224) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
PubChem CID142907224
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
SMILESCCC/C=C(/CN(C)C(=O)/C=C/c1ccc(N)nc1)N(C)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-4-5-9-20(26(3)19-10-7-6-8-11-19)17-25(2)22(27)15-13-18-12-14-21(23)24-16-18/h6-16H,4-5,17H2,1-3H3,(H2,23,24)/b15-13+,20-9-
InChIKeyZOLQIOIBLLQUIQ-AZMAUJBXSA-N
XLogP3.96
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide with MolForge

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Related Compounds

3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide
CID 66905038
3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 68912214
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
CID 66780792
3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
CID 91199817
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 22593705
2-[[(E)-3-(2-ethoxypyrimidin-5-yl)prop-2-enoyl]-methylamino]acetic acid
CID 110488946

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide (CID 142907224) is (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide is CCC/C=C(/CN(C)C(=O)/C=C/c1ccc(N)nc1)N(C)c1ccccc1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide?
The InChIKey is ZOLQIOIBLLQUIQ-AZMAUJBXSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-5-9-20(26(3)19-10-7-6-8-11-19)17-25(2)22(27)15-13-18-12-14-21(23)24-16-18/h6-16H,4-5,17H2,1-3H3,(H2,23,24)/b15-13+,20-9-.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide is sourced from PubChem (CID 142907224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).