(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

C22H24N4O2 — CID 6539895

IUPAC(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ncc(/C=C/C(=O)N(C)Cc2cc3ccccc3n2C)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+
InChIKeyLVJNPHOHTRAEBH-MDZDMXLPSA-N
MW376.46 g/mol
LogP3.51
Rot. Bonds5

About (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (PubChem CID 6539895) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
PubChem CID6539895
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ncc(/C=C/C(=O)N(C)Cc2cc3ccccc3n2C)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+
InChIKeyLVJNPHOHTRAEBH-MDZDMXLPSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (CID 6539895) is (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is CC(=O)Nc1ncc(/C=C/C(=O)N(C)Cc2cc3ccccc3n2C)cc1C.
What is the InChIKey of (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The InChIKey is LVJNPHOHTRAEBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+.
What are the key properties of (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
(E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-acetamido-5-methyl-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 6539895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).