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

C19H20N4O — CID 5287720

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
InChIKeyAKFPMLBVLWZSQX-CSKARUKUSA-N
MW320.40 g/mol
LogP2.83
Rot. Bonds4

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

(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (PubChem CID 5287720) 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-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
PubChem CID5287720
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
InChIKeyAKFPMLBVLWZSQX-CSKARUKUSA-N
XLogP2.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.83
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-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (CID 5287720) is (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)nc1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The InChIKey is AKFPMLBVLWZSQX-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide has a molecular weight of 320.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 5287720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).