(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide

C22H24N4O2 — CID 22593783

IUPAC(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide
SMILESCC(=O)CNc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C22H24N4O2/c1-15(27)13-23-21-10-8-17(14-24-21)9-11-22(28)26(3)16(2)20-12-18-6-4-5-7-19(18)25-20/h4-12,14,16,25H,13H2,1-3H3,(H,23,24)/b11-9+
InChIKeyATMZLWHSJJJFQN-PKNBQFBNSA-N
MW376.46 g/mol
LogP3.80
Rot. Bonds7

About (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide

(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide (PubChem CID 22593783) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide
PubChem CID22593783
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide
SMILESCC(=O)CNc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C22H24N4O2/c1-15(27)13-23-21-10-8-17(14-24-21)9-11-22(28)26(3)16(2)20-12-18-6-4-5-7-19(18)25-20/h4-12,14,16,25H,13H2,1-3H3,(H,23,24)/b11-9+
InChIKeyATMZLWHSJJJFQN-PKNBQFBNSA-N
XLogP3.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
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)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide (CID 22593783) is (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide is CC(=O)CNc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1.
What is the InChIKey of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide?
The InChIKey is ATMZLWHSJJJFQN-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(27)13-23-21-10-8-17(14-24-21)9-11-22(28)26(3)16(2)20-12-18-6-4-5-7-19(18)25-20/h4-12,14,16,25H,13H2,1-3H3,(H,23,24)/b11-9+.
What are the key properties of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide?
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 22593783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).