(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide

C22H26N4O2 — CID 66967206

IUPAC(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc(N)c(C(C)(C)O)c1
InChIInChI=1S/C22H26N4O2/c1-14(19-12-16-7-5-6-8-18(16)25-19)26(4)20(27)10-9-15-11-17(22(2,3)28)21(23)24-13-15/h5-14,25,28H,1-4H3,(H2,23,24)/b10-9+
InChIKeyFEVUTIWJNKRKGQ-MDZDMXLPSA-N
MW378.48 g/mol
LogP3.61
Rot. Bonds5

About (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide

(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide (PubChem CID 66967206) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide
PubChem CID66967206
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc(N)c(C(C)(C)O)c1
InChIInChI=1S/C22H26N4O2/c1-14(19-12-16-7-5-6-8-18(16)25-19)26(4)20(27)10-9-15-11-17(22(2,3)28)21(23)24-13-15/h5-14,25,28H,1-4H3,(H2,23,24)/b10-9+
InChIKeyFEVUTIWJNKRKGQ-MDZDMXLPSA-N
XLogP3.61
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
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-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide (CID 66967206) is (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide is CC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc(N)c(C(C)(C)O)c1.
What is the InChIKey of (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide?
The InChIKey is FEVUTIWJNKRKGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(19-12-16-7-5-6-8-18(16)25-19)26(4)20(27)10-9-15-11-17(22(2,3)28)21(23)24-13-15/h5-14,25,28H,1-4H3,(H2,23,24)/b10-9+.
What are the key properties of (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide?
(E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide has a molecular weight of 378.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-[1-(1H-indol-2-yl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 66967206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).