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

C22H24N4O2 — CID 22593798

IUPAC(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C22H24N4O2/c1-4-21(27)25-20-11-9-16(14-23-20)10-12-22(28)26(3)15(2)19-13-17-7-5-6-8-18(17)24-19/h5-15,24H,4H2,1-3H3,(H,23,25,27)/b12-10+
InChIKeyOEZTTWUPEQDHFC-ZRDIBKRKSA-N
MW376.46 g/mol
LogP4.14
Rot. Bonds6

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

(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide (PubChem CID 22593798) 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-(propanoylamino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide
PubChem CID22593798
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C22H24N4O2/c1-4-21(27)25-20-11-9-16(14-23-20)10-12-22(28)26(3)15(2)19-13-17-7-5-6-8-18(17)24-19/h5-15,24H,4H2,1-3H3,(H,23,25,27)/b12-10+
InChIKeyOEZTTWUPEQDHFC-ZRDIBKRKSA-N
XLogP4.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-[[2-(methylamino)-2-oxoethyl]amino]-3-pyridinyl]prop-2-enamide
CID 22139083
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide
CID 22593783
3-[6-(2,5-dihydroxypyrrol-1-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide
CID 91523757
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
CID 89462838
(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide
CID 66967206
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966425
2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 66966332
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 22593705
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 22722094
N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 97116272
4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
CID 95884884
1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70717535

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide (CID 22593798) is (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide is CCC(=O)Nc1ccc(/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-(propanoylamino)-3-pyridinyl]prop-2-enamide?
The InChIKey is OEZTTWUPEQDHFC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-21(27)25-20-11-9-16(14-23-20)10-12-22(28)26(3)15(2)19-13-17-7-5-6-8-18(17)24-19/h5-15,24H,4H2,1-3H3,(H,23,25,27)/b12-10+.
What are the key properties of (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide?
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(propanoylamino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 22593798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).