3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide

C19H18Cl2N4O — CID 66780792

IUPAC3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1cc2c(Cl)cc(Cl)cc2n1C)C(=O)C=Cc1ccc(N)nc1
InChIInChI=1S/C19H18Cl2N4O/c1-24(19(26)6-4-12-3-5-18(22)23-10-12)11-14-9-15-16(21)7-13(20)8-17(15)25(14)2/h3-10H,11H2,1-2H3,(H2,22,23)
InChIKeyOJQYLJNPXSVOMG-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.13
Rot. Bonds4

About 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide

3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide (PubChem CID 66780792) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
PubChem CID66780792
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1cc2c(Cl)cc(Cl)cc2n1C)C(=O)C=Cc1ccc(N)nc1
InChIInChI=1S/C19H18Cl2N4O/c1-24(19(26)6-4-12-3-5-18(22)23-10-12)11-14-9-15-16(21)7-13(20)8-17(15)25(14)2/h3-10H,11H2,1-2H3,(H2,22,23)
InChIKeyOJQYLJNPXSVOMG-UHFFFAOYSA-N
XLogP4.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.13
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 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide (CID 66780792) is 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide is CN(Cc1cc2c(Cl)cc(Cl)cc2n1C)C(=O)C=Cc1ccc(N)nc1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is OJQYLJNPXSVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-24(19(26)6-4-12-3-5-18(22)23-10-12)11-14-9-15-16(21)7-13(20)8-17(15)25(14)2/h3-10H,11H2,1-2H3,(H2,22,23).
What are the key properties of 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide?
3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 389.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 66780792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).