(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide

C19H20N4O — CID 22593705

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
SMILESCC(c1c[nH]c2ccccc12)N(C)C(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C19H20N4O/c1-13(16-12-21-17-6-4-3-5-15(16)17)23(2)19(24)10-8-14-7-9-18(20)22-11-14/h3-13,21H,1-2H3,(H2,20,22)/b10-8+
InChIKeyAULNVTWZVSZRAH-CSKARUKUSA-N
MW320.40 g/mol
LogP3.38
Rot. Bonds4

About (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide (PubChem CID 22593705) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
PubChem CID22593705
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
SMILESCC(c1c[nH]c2ccccc12)N(C)C(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C19H20N4O/c1-13(16-12-21-17-6-4-3-5-15(16)17)23(2)19(24)10-8-14-7-9-18(20)22-11-14/h3-13,21H,1-2H3,(H2,20,22)/b10-8+
InChIKeyAULNVTWZVSZRAH-CSKARUKUSA-N
XLogP3.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.38
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)-3-(6-amino-3-pyridinyl)-N-methyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide
CID 66780654
3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
CID 91199817
3-[6-(benzhydrylideneamino)-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl]-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 90873299
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66780749
(E)-N-methyl-N-[1-(4-methyl-1H-indol-3-yl)ethyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 22139139
N-(6-amino-3-pyridinyl)-N-methyl-1H-indole-3-carboxamide
CID 115274564
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[6-(2-oxopropylamino)-3-pyridinyl]prop-2-enamide
CID 22593783
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide (CID 22593705) is (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide is CC(c1c[nH]c2ccccc12)N(C)C(=O)/C=C/c1ccc(N)nc1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide?
The InChIKey is AULNVTWZVSZRAH-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(16-12-21-17-6-4-3-5-15(16)17)23(2)19(24)10-8-14-7-9-18(20)22-11-14/h3-13,21H,1-2H3,(H2,20,22)/b10-8+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide has a molecular weight of 320.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 22593705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).