2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide

C19H18BrN5O — CID 55858166

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCNc1ncccc1C#N
InChIInChI=1S/C19H18BrN5O/c1-13-18(20)15-6-2-3-7-16(15)25(13)12-17(26)22-9-10-24-19-14(11-21)5-4-8-23-19/h2-8H,9-10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyQGWDMRAHQDTLPB-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.21
Rot. Bonds6

About 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 55858166) has the molecular formula C19H18BrN5O and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
PubChem CID55858166
Molecular FormulaC19H18BrN5O
Molecular Weight412.29 g/mol
Exact Mass411.07
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCNc1ncccc1C#N
InChIInChI=1S/C19H18BrN5O/c1-13-18(20)15-6-2-3-7-16(15)25(13)12-17(26)22-9-10-24-19-14(11-21)5-4-8-23-19/h2-8H,9-10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyQGWDMRAHQDTLPB-UHFFFAOYSA-N
XLogP3.21
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 52661759
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
CID 55840184
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520216
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 55840170
2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55853850
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide (CID 55858166) is 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCCNc1ncccc1C#N.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is QGWDMRAHQDTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O/c1-13-18(20)15-6-2-3-7-16(15)25(13)12-17(26)22-9-10-24-19-14(11-21)5-4-8-23-19/h2-8H,9-10,12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 412.29 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 55858166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).