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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Related Compounds

3-(6-amino-3-pyridinyl)-N-methyl-N-[(1-methylpyrrolo[3,2-b]pyridin-3-yl)methyl]prop-2-enamide
CID 66905038
3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 66967906
(E)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 71537605
3-(6-anilino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 67344688
3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288
(E)-3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 23658182
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(9H-pyrido[2,3-b]indol-3-yl)prop-2-enamide
CID 71537897
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 19460508
3-(2-aminopyrimidin-5-yl)-N-[(1,2-dimethylindol-3-yl)methyl]-N-methylprop-2-enamide
CID 66780861
N-[5-[3-[methyl-[(1-methylindol-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 66966941
3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 68912214

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).